6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine

C80H70N2 — CID 166032484

IUPAC6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
SMILESCc1cccc(C)c1N(c1cccc(C(C)(C)C)c1)c1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1c-3c(-c2ccccc2)c2ccc(N(c3cccc(C(C)(C)C)c3)c3c(C)cccc3C)cc2c1-c1ccccc1
InChIInChI=1S/C80H70N2/c1-51-27-23-28-52(2)77(51)81(61-41-25-39-59(47-61)79(5,6)7)63-43-45-65-67(49-63)71(57-35-19-13-20-36-57)75-73(69(65)55-31-15-11-16-32-55)74-70(56-33-17-12-18-34-56)66-46-44-64(50-68(66)72(76(74)75)58-37-21-14-22-38-58)82(78-53(3)29-24-30-54(78)4)62-42-26-40-60(48-62)80(8,9)10/h11-50H,1-10H3
InChIKeyYLNTVEFTWDQGTL-UHFFFAOYSA-N
MW1059.45 g/mol
LogP23.08
Rot. Bonds10

About 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine

6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine (PubChem CID 166032484) has the molecular formula C80H70N2 and a molecular weight of 1059.45 g/mol. Its IUPAC name is 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine.

Molecular Properties

Compound Name6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
PubChem CID166032484
Molecular FormulaC80H70N2
Molecular Weight1059.45 g/mol
Exact Mass1058.55
IUPAC Name6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
SMILESCc1cccc(C)c1N(c1cccc(C(C)(C)C)c1)c1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1c-3c(-c2ccccc2)c2ccc(N(c3cccc(C(C)(C)C)c3)c3c(C)cccc3C)cc2c1-c1ccccc1
InChIInChI=1S/C80H70N2/c1-51-27-23-28-52(2)77(51)81(61-41-25-39-59(47-61)79(5,6)7)63-43-45-65-67(49-63)71(57-35-19-13-20-36-57)75-73(69(65)55-31-15-11-16-32-55)74-70(56-33-17-12-18-34-56)66-46-44-64(50-68(66)72(76(74)75)58-37-21-14-22-38-58)82(78-53(3)29-24-30-54(78)4)62-42-26-40-60(48-62)80(8,9)10/h11-50H,1-10H3
InChIKeyYLNTVEFTWDQGTL-UHFFFAOYSA-N
XLogP23.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.45
LogP ≤ 523.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine with MolForge

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Related Compounds

6-N,16-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenyl-6-N,16-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine
CID 166032166
6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenyl-6-N,17-N-bis(3-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
CID 166033291
6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
CID 166033534
6-N,6-N,16-N,16-N,3,10,13,20-octakis-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine
CID 166033321
6-N,17-N-di(dibenzofuran-4-yl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
CID 166033482
6-N,17-N-bis(2-methylphenyl)-6-N,17-N-bis(4-methylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine
CID 166032569
3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline
CID 176854873
6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine
CID 123890919
N-(5-tert-butyl-2-methylphenyl)-N-(3-tert-butylphenyl)-4,11-diphenylhexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-19-amine
CID 166032942
14,24,29-tritert-butyl-N,N-bis(4-tert-butylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(2,6-dimethylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine
CID 161068341
9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 59844640
2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766189

Frequently Asked Questions

What is the IUPAC name of 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine?
The IUPAC name of 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine (CID 166032484) is 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine.
What is the SMILES notation for 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine?
The canonical SMILES for 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine is Cc1cccc(C)c1N(c1cccc(C(C)(C)C)c1)c1ccc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2c1)-c1c-3c(-c2ccccc2)c2ccc(N(c3cccc(C(C)(C)C)c3)c3c(C)cccc3C)cc2c1-c1ccccc1.
What is the InChIKey of 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine?
The InChIKey is YLNTVEFTWDQGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H70N2/c1-51-27-23-28-52(2)77(51)81(61-41-25-39-59(47-61)79(5,6)7)63-43-45-65-67(49-63)71(57-35-19-13-20-36-57)75-73(69(65)55-31-15-11-16-32-55)74-70(56-33-17-12-18-34-56)66-46-44-64(50-68(66)72(76(74)75)58-37-21-14-22-38-58)82(78-53(3)29-24-30-54(78)4)62-42-26-40-60(48-62)80(8,9)10/h11-50H,1-10H3.
What are the key properties of 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine?
6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine has a molecular weight of 1059.45 g/mol, XLogP of 23.08, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,17-N-bis(3-tert-butylphenyl)-6-N,17-N-bis(2,6-dimethylphenyl)-3,10,13,20-tetraphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,17-diamine is sourced from PubChem (CID 166032484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).