9-[3-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]propyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine

C83H74N6O8 — CID 118857156

IUPAC9-[3-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]propyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3CCCn2c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3c3cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc32)cc1
InChIInChI=1S/C83H74N6O8/c1-90-68-30-10-56(11-31-68)86(57-12-32-69(91-2)33-13-57)64-26-46-80-76(52-64)77-53-65(87(58-14-34-70(92-3)35-15-58)59-16-36-71(93-4)37-17-59)27-47-81(77)84(80)50-9-51-85-82-48-28-66(88(60-18-38-72(94-5)39-19-60)61-20-40-73(95-6)41-21-61)54-78(82)79-55-67(29-49-83(79)85)89(62-22-42-74(96-7)43-23-62)63-24-44-75(97-8)45-25-63/h10-49,52-55H,9,50-51H2,1-8H3
InChIKeyAQXKFOBTLUTOJP-UHFFFAOYSA-N
MW1283.54 g/mol
LogP20.94
Rot. Bonds24

About 9-[3-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]propyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine

9-[3-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]propyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine (PubChem CID 118857156) has the molecular formula C83H74N6O8 and a molecular weight of 1283.54 g/mol. Its IUPAC name is 9-[3-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]propyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine.

Molecular Properties

Compound Name9-[3-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]propyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
PubChem CID118857156
Molecular FormulaC83H74N6O8
Molecular Weight1283.54 g/mol
Exact Mass1282.56
IUPAC Name9-[3-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]propyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3CCCn2c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3c3cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc32)cc1
InChIInChI=1S/C83H74N6O8/c1-90-68-30-10-56(11-31-68)86(57-12-32-69(91-2)33-13-57)64-26-46-80-76(52-64)77-53-65(87(58-14-34-70(92-3)35-15-58)59-16-36-71(93-4)37-17-59)27-47-81(77)84(80)50-9-51-85-82-48-28-66(88(60-18-38-72(94-5)39-19-60)61-20-40-73(95-6)41-21-61)54-78(82)79-55-67(29-49-83(79)85)89(62-22-42-74(96-7)43-23-62)63-24-44-75(97-8)45-25-63/h10-49,52-55H,9,50-51H2,1-8H3
InChIKeyAQXKFOBTLUTOJP-UHFFFAOYSA-N
XLogP20.94
TPSA96.66 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001283.54
LogP ≤ 520.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 9-[3-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]propyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]propyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The IUPAC name of 9-[3-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]propyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine (CID 118857156) is 9-[3-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]propyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine.
What is the SMILES notation for 9-[3-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]propyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The canonical SMILES for 9-[3-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]propyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine is COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3CCCn2c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3c3cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc32)cc1.
What is the InChIKey of 9-[3-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]propyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The InChIKey is AQXKFOBTLUTOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H74N6O8/c1-90-68-30-10-56(11-31-68)86(57-12-32-69(91-2)33-13-57)64-26-46-80-76(52-64)77-53-65(87(58-14-34-70(92-3)35-15-58)59-16-36-71(93-4)37-17-59)27-47-81(77)84(80)50-9-51-85-82-48-28-66(88(60-18-38-72(94-5)39-19-60)61-20-40-73(95-6)41-21-61)54-78(82)79-55-67(29-49-83(79)85)89(62-22-42-74(96-7)43-23-62)63-24-44-75(97-8)45-25-63/h10-49,52-55H,9,50-51H2,1-8H3.
What are the key properties of 9-[3-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]propyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
9-[3-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]propyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine has a molecular weight of 1283.54 g/mol, XLogP of 20.94, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]propyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine is sourced from PubChem (CID 118857156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).