14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-9,9-dimethyl-11-N,17-N-diphenylhexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine

C84H80N2O — CID 163416775

IUPAC14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-9,9-dimethyl-11-N,17-N-diphenylhexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2cc3c(c4c2C(C)(C)c2ccccc2-4)-c2c(cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)c4ccccc24)C3(c2ccc(C(C)(C)C)cc2)c2ccc3oc4ccc(C(C)(C)C)cc4c3c2)cc1
InChIInChI=1S/C84H80N2O/c1-79(2,3)53-33-35-56(36-34-53)84(58-42-48-74-67(50-58)66-49-57(82(10,11)12)41-47-73(66)87-74)69-51-71(85(59-25-17-15-18-26-59)61-43-37-54(38-44-61)80(4,5)6)63-29-21-22-30-64(63)75(69)77-70(84)52-72(78-76(77)65-31-23-24-32-68(65)83(78,13)14)86(60-27-19-16-20-28-60)62-45-39-55(40-46-62)81(7,8)9/h15-52H,1-14H3
InChIKeyWYVQMVJRGYTWPY-UHFFFAOYSA-N
MW1133.58 g/mol
LogP23.54
Rot. Bonds8

About 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-9,9-dimethyl-11-N,17-N-diphenylhexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine

14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-9,9-dimethyl-11-N,17-N-diphenylhexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine (PubChem CID 163416775) has the molecular formula C84H80N2O and a molecular weight of 1133.58 g/mol. Its IUPAC name is 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-9,9-dimethyl-11-N,17-N-diphenylhexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine.

Molecular Properties

Compound Name14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-9,9-dimethyl-11-N,17-N-diphenylhexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine
PubChem CID163416775
Molecular FormulaC84H80N2O
Molecular Weight1133.58 g/mol
Exact Mass1132.63
IUPAC Name14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-9,9-dimethyl-11-N,17-N-diphenylhexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2cc3c(c4c2C(C)(C)c2ccccc2-4)-c2c(cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)c4ccccc24)C3(c2ccc(C(C)(C)C)cc2)c2ccc3oc4ccc(C(C)(C)C)cc4c3c2)cc1
InChIInChI=1S/C84H80N2O/c1-79(2,3)53-33-35-56(36-34-53)84(58-42-48-74-67(50-58)66-49-57(82(10,11)12)41-47-73(66)87-74)69-51-71(85(59-25-17-15-18-26-59)61-43-37-54(38-44-61)80(4,5)6)63-29-21-22-30-64(63)75(69)77-70(84)52-72(78-76(77)65-31-23-24-32-68(65)83(78,13)14)86(60-27-19-16-20-28-60)62-45-39-55(40-46-62)81(7,8)9/h15-52H,1-14H3
InChIKeyWYVQMVJRGYTWPY-UHFFFAOYSA-N
XLogP23.54
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.58
LogP ≤ 523.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-9,9-dimethyl-11-N,17-N-diphenylhexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine with MolForge

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Related Compounds

15-[4-(4-tert-butylphenoxy)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-10,10-dimethyl-12-N,18-N-diphenyl-26-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163638141
14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine
CID 163491808
9-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-di(dibenzofuran-4-yl)-14,14-dimethyl-9-(4-trimethylsilylphenyl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-6,12-diamine;9-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-6-N,12-N,9-tris(4-tert-butylphenyl)-6-N,12-N-di(dibenzofuran-4-yl)-14,14-dimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-6,12-diamine;9-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-6-N,12-N,9-tris(4-tert-butylphenyl)-6-N,12-N-di(dibenzofuran-4-yl)-14,14-dimethylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-6,12-diamine
CID 163883037
9-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-di(dibenzofuran-4-yl)-14,14-dimethyl-9-(4-trimethylsilylphenyl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-6,12-diamine
CID 163883040
2-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran-9-amine
CID 176821926
14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-diphenyl-14-(4-trimethylsilylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-11-N,17-N,14-tris(4-tert-butylphenyl)-11-N,17-N-diphenyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine;14-[6-tert-butyl-9-(4-tert-butylphenyl)carbazol-3-yl]-11-N,11-N,17-N,17-N,14-pentakis(4-tert-butylphenyl)-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine
CID 163878087
N-(4-tert-butylphenyl)-N-(14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)-14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine
CID 155088963
15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-26,26-dimethyl-12-N,18-N-dinaphthalen-1-yl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163596922
9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine
CID 118688084
9-N',9-N',15-N',15-N'-tetrakis(4-tert-butylphenyl)-23',23'-dimethylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,12'-hexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene]-9',15'-diamine
CID 146209881
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[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 90140171

Frequently Asked Questions

What is the IUPAC name of 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-9,9-dimethyl-11-N,17-N-diphenylhexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine?
The IUPAC name of 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-9,9-dimethyl-11-N,17-N-diphenylhexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine (CID 163416775) is 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-9,9-dimethyl-11-N,17-N-diphenylhexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine.
What is the SMILES notation for 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-9,9-dimethyl-11-N,17-N-diphenylhexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine?
The canonical SMILES for 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-9,9-dimethyl-11-N,17-N-diphenylhexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine is CC(C)(C)c1ccc(N(c2ccccc2)c2cc3c(c4c2C(C)(C)c2ccccc2-4)-c2c(cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)c4ccccc24)C3(c2ccc(C(C)(C)C)cc2)c2ccc3oc4ccc(C(C)(C)C)cc4c3c2)cc1.
What is the InChIKey of 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-9,9-dimethyl-11-N,17-N-diphenylhexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine?
The InChIKey is WYVQMVJRGYTWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H80N2O/c1-79(2,3)53-33-35-56(36-34-53)84(58-42-48-74-67(50-58)66-49-57(82(10,11)12)41-47-73(66)87-74)69-51-71(85(59-25-17-15-18-26-59)61-43-37-54(38-44-61)80(4,5)6)63-29-21-22-30-64(63)75(69)77-70(84)52-72(78-76(77)65-31-23-24-32-68(65)83(78,13)14)86(60-27-19-16-20-28-60)62-45-39-55(40-46-62)81(7,8)9/h15-52H,1-14H3.
What are the key properties of 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-9,9-dimethyl-11-N,17-N-diphenylhexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine?
14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-9,9-dimethyl-11-N,17-N-diphenylhexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine has a molecular weight of 1133.58 g/mol, XLogP of 23.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(8-tert-butyldibenzofuran-2-yl)-11-N,17-N,14-tris(4-tert-butylphenyl)-9,9-dimethyl-11-N,17-N-diphenylhexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1,3,5,7,10,12,15(24),16,18,20,22-undecaene-11,17-diamine is sourced from PubChem (CID 163416775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).