9-N,15-N-bis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,9-N,15-N,15-N-tetrakis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

C278H252N12S4Si6 — CID 158681021

IUPAC9-N,15-N-bis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,9-N,15-N,15-N-tetrakis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc2n3-c2cccc3c2sc2ccccc23)cc1.CC(C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)cc2n3-c2cccc3c2sc2ccccc23)cc1.C[Si](C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccc([Si](C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)cc2n3-c2cccc3c2sc2ccccc23)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc4c(c5ccccc35)c3c5ccccc5c(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc3n4-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C72H69N3S.C70H69N3SSi2.C68H69N3SSi4.C68H45N3S/c1-69(2,3)46-28-36-50(37-29-46)73(51-38-30-47(31-39-51)70(4,5)6)61-44-63-66(57-23-15-13-20-54(57)61)67-58-24-16-14-21-55(58)62(45-64(67)75(63)60-26-19-25-59-56-22-17-18-27-65(56)76-68(59)60)74(52-40-32-48(33-41-52)71(7,8)9)53-42-34-49(35-43-53)72(10,11)12;1-69(2,3)46-28-32-48(33-29-46)71(50-36-40-52(41-37-50)75(7,8)9)61-44-63-66(57-23-15-13-20-54(57)61)67-58-24-16-14-21-55(58)62(45-64(67)73(63)60-26-19-25-59-56-22-17-18-27-65(56)74-68(59)60)72(49-34-30-47(31-35-49)70(4,5)6)51-38-42-53(43-39-51)76(10,11)12;1-73(2,3)50-36-28-46(29-37-50)69(47-30-38-51(39-31-47)74(4,5)6)61-44-63-66(57-23-15-13-20-54(57)61)67-58-24-16-14-21-55(58)62(45-64(67)71(63)60-26-19-25-59-56-22-17-18-27-65(56)72-68(59)60)70(48-32-40-52(41-33-48)75(7,8)9)49-34-42-53(43-35-49)76(10,11)12;1-5-20-46(21-6-1)48-36-40-52(41-37-48)69(50-24-9-3-10-25-50)61-44-63-66(57-31-15-13-28-54(57)61)67-58-32-16-14-29-55(58)62(45-64(67)71(63)60-34-19-33-59-56-30-17-18-35-65(56)72-68(59)60)70(51-26-11-4-12-27-51)53-42-38-49(39-43-53)47-22-7-2-8-23-47/h3*13-45H,1-12H3;1-45H
InChIKeyIFCZIAXWCKQFRA-UHFFFAOYSA-N
MW4057.94 g/mol
LogP79.98
Rot. Bonds36

About 9-N,15-N-bis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,9-N,15-N,15-N-tetrakis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

9-N,15-N-bis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,9-N,15-N,15-N-tetrakis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (PubChem CID 158681021) has the molecular formula C278H252N12S4Si6 and a molecular weight of 4057.94 g/mol. Its IUPAC name is 9-N,15-N-bis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,9-N,15-N,15-N-tetrakis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.

Molecular Properties

Compound Name9-N,15-N-bis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,9-N,15-N,15-N-tetrakis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
PubChem CID158681021
Molecular FormulaC278H252N12S4Si6
Molecular Weight4057.94 g/mol
Exact Mass4053.76
IUPAC Name9-N,15-N-bis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,9-N,15-N,15-N-tetrakis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc2n3-c2cccc3c2sc2ccccc23)cc1.CC(C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)cc2n3-c2cccc3c2sc2ccccc23)cc1.C[Si](C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccc([Si](C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)cc2n3-c2cccc3c2sc2ccccc23)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc4c(c5ccccc35)c3c5ccccc5c(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc3n4-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C72H69N3S.C70H69N3SSi2.C68H69N3SSi4.C68H45N3S/c1-69(2,3)46-28-36-50(37-29-46)73(51-38-30-47(31-39-51)70(4,5)6)61-44-63-66(57-23-15-13-20-54(57)61)67-58-24-16-14-21-55(58)62(45-64(67)75(63)60-26-19-25-59-56-22-17-18-27-65(56)76-68(59)60)74(52-40-32-48(33-41-52)71(7,8)9)53-42-34-49(35-43-53)72(10,11)12;1-69(2,3)46-28-32-48(33-29-46)71(50-36-40-52(41-37-50)75(7,8)9)61-44-63-66(57-23-15-13-20-54(57)61)67-58-24-16-14-21-55(58)62(45-64(67)73(63)60-26-19-25-59-56-22-17-18-27-65(56)74-68(59)60)72(49-34-30-47(31-35-49)70(4,5)6)51-38-42-53(43-39-51)76(10,11)12;1-73(2,3)50-36-28-46(29-37-50)69(47-30-38-51(39-31-47)74(4,5)6)61-44-63-66(57-23-15-13-20-54(57)61)67-58-24-16-14-21-55(58)62(45-64(67)71(63)60-26-19-25-59-56-22-17-18-27-65(56)72-68(59)60)70(48-32-40-52(41-33-48)75(7,8)9)49-34-42-53(43-35-49)76(10,11)12;1-5-20-46(21-6-1)48-36-40-52(41-37-48)69(50-24-9-3-10-25-50)61-44-63-66(57-31-15-13-28-54(57)61)67-58-32-16-14-29-55(58)62(45-64(67)71(63)60-34-19-33-59-56-30-17-18-35-65(56)72-68(59)60)70(51-26-11-4-12-27-51)53-42-38-49(39-43-53)47-22-7-2-8-23-47/h3*13-45H,1-12H3;1-45H
InChIKeyIFCZIAXWCKQFRA-UHFFFAOYSA-N
XLogP79.98
TPSA45.64 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds36
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004057.94
LogP ≤ 579.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 9-N,15-N-bis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,9-N,15-N,15-N-tetrakis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine with MolForge

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Related Compounds

12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487502
9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-12-(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487448
3-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086568
6-carbazol-9-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 90371880
3-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118086690
N-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-N-dibenzothiophen-4-yldibenzothiophen-4-amine
CID 140711508
4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086505
9-N,15-N-bis(3-methylphenyl)-12-naphthalen-1-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487452
9-N,9-N,15-N,15-N-tetraphenyl-12-(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487397
N-[4-[14-(4-tert-butylphenyl)-22-[4-(N-dibenzothiophen-4-ylanilino)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaen-6-yl]phenyl]-N-phenyldibenzothiophen-4-amine;ethane
CID 145380823
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylnaphthalen-1-amine
CID 167227684
N-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,2,4-triphenylaniline
CID 144844352

Frequently Asked Questions

What is the IUPAC name of 9-N,15-N-bis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,9-N,15-N,15-N-tetrakis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The IUPAC name of 9-N,15-N-bis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,9-N,15-N,15-N-tetrakis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (CID 158681021) is 9-N,15-N-bis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,9-N,15-N,15-N-tetrakis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.
What is the SMILES notation for 9-N,15-N-bis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,9-N,15-N,15-N-tetrakis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The canonical SMILES for 9-N,15-N-bis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,9-N,15-N,15-N-tetrakis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc2n3-c2cccc3c2sc2ccccc23)cc1.CC(C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)cc2n3-c2cccc3c2sc2ccccc23)cc1.C[Si](C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccc([Si](C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)cc2n3-c2cccc3c2sc2ccccc23)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cc4c(c5ccccc35)c3c5ccccc5c(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc3n4-c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of 9-N,15-N-bis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,9-N,15-N,15-N-tetrakis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The InChIKey is IFCZIAXWCKQFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H69N3S.C70H69N3SSi2.C68H69N3SSi4.C68H45N3S/c1-69(2,3)46-28-36-50(37-29-46)73(51-38-30-47(31-39-51)70(4,5)6)61-44-63-66(57-23-15-13-20-54(57)61)67-58-24-16-14-21-55(58)62(45-64(67)75(63)60-26-19-25-59-56-22-17-18-27-65(56)76-68(59)60)74(52-40-32-48(33-41-52)71(7,8)9)53-42-34-49(35-43-53)72(10,11)12;1-69(2,3)46-28-32-48(33-29-46)71(50-36-40-52(41-37-50)75(7,8)9)61-44-63-66(57-23-15-13-20-54(57)61)67-58-24-16-14-21-55(58)62(45-64(67)73(63)60-26-19-25-59-56-22-17-18-27-65(56)74-68(59)60)72(49-34-30-47(31-35-49)70(4,5)6)51-38-42-53(43-39-51)76(10,11)12;1-73(2,3)50-36-28-46(29-37-50)69(47-30-38-51(39-31-47)74(4,5)6)61-44-63-66(57-23-15-13-20-54(57)61)67-58-24-16-14-21-55(58)62(45-64(67)71(63)60-26-19-25-59-56-22-17-18-27-65(56)72-68(59)60)70(48-32-40-52(41-33-48)75(7,8)9)49-34-42-53(43-35-49)76(10,11)12;1-5-20-46(21-6-1)48-36-40-52(41-37-48)69(50-24-9-3-10-25-50)61-44-63-66(57-31-15-13-28-54(57)61)67-58-32-16-14-29-55(58)62(45-64(67)71(63)60-34-19-33-59-56-30-17-18-35-65(56)72-68(59)60)70(51-26-11-4-12-27-51)53-42-38-49(39-43-53)47-22-7-2-8-23-47/h3*13-45H,1-12H3;1-45H.
What are the key properties of 9-N,15-N-bis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,9-N,15-N,15-N-tetrakis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
9-N,15-N-bis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,9-N,15-N,15-N-tetrakis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine has a molecular weight of 4057.94 g/mol, XLogP of 79.98, 36 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,15-N-bis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;12-dibenzothiophen-4-yl-9-N,9-N,15-N,15-N-tetrakis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-12-dibenzothiophen-4-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is sourced from PubChem (CID 158681021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).