3-N,6-N-bis(4-methoxyphenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine

C68H49N5O2 — CID 58983376

IUPAC3-N,6-N-bis(4-methoxyphenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C68H49N5O2/c1-74-55-34-26-49(27-35-55)69(51-30-38-65-59(42-51)57-22-12-14-24-63(57)71(65)46-16-6-3-7-17-46)53-32-40-67-61(44-53)62-45-54(33-41-68(62)73(67)48-20-10-5-11-21-48)70(50-28-36-56(75-2)37-29-50)52-31-39-66-60(43-52)58-23-13-15-25-64(58)72(66)47-18-8-4-9-19-47/h3-45H,1-2H3
InChIKeyWRTCYXBGHSHSKT-UHFFFAOYSA-N
MW968.17 g/mol
LogP17.93
Rot. Bonds11

About 3-N,6-N-bis(4-methoxyphenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine

3-N,6-N-bis(4-methoxyphenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine (PubChem CID 58983376) has the molecular formula C68H49N5O2 and a molecular weight of 968.17 g/mol. Its IUPAC name is 3-N,6-N-bis(4-methoxyphenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N-bis(4-methoxyphenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine
PubChem CID58983376
Molecular FormulaC68H49N5O2
Molecular Weight968.17 g/mol
Exact Mass967.39
IUPAC Name3-N,6-N-bis(4-methoxyphenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C68H49N5O2/c1-74-55-34-26-49(27-35-55)69(51-30-38-65-59(42-51)57-22-12-14-24-63(57)71(65)46-16-6-3-7-17-46)53-32-40-67-61(44-53)62-45-54(33-41-68(62)73(67)48-20-10-5-11-21-48)70(50-28-36-56(75-2)37-29-50)52-31-39-66-60(43-52)58-23-13-15-25-64(58)72(66)47-18-8-4-9-19-47/h3-45H,1-2H3
InChIKeyWRTCYXBGHSHSKT-UHFFFAOYSA-N
XLogP17.93
TPSA39.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.17
LogP ≤ 517.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-N,6-N-bis(4-methoxyphenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)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 3-N,6-N-bis(4-methoxyphenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine?
The IUPAC name of 3-N,6-N-bis(4-methoxyphenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine (CID 58983376) is 3-N,6-N-bis(4-methoxyphenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine.
What is the SMILES notation for 3-N,6-N-bis(4-methoxyphenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine?
The canonical SMILES for 3-N,6-N-bis(4-methoxyphenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine is COc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3-N,6-N-bis(4-methoxyphenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine?
The InChIKey is WRTCYXBGHSHSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49N5O2/c1-74-55-34-26-49(27-35-55)69(51-30-38-65-59(42-51)57-22-12-14-24-63(57)71(65)46-16-6-3-7-17-46)53-32-40-67-61(44-53)62-45-54(33-41-68(62)73(67)48-20-10-5-11-21-48)70(50-28-36-56(75-2)37-29-50)52-31-39-66-60(43-52)58-23-13-15-25-64(58)72(66)47-18-8-4-9-19-47/h3-45H,1-2H3.
What are the key properties of 3-N,6-N-bis(4-methoxyphenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine?
3-N,6-N-bis(4-methoxyphenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine has a molecular weight of 968.17 g/mol, XLogP of 17.93, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-bis(4-methoxyphenyl)-9-phenyl-3-N,6-N-bis(9-phenylcarbazol-3-yl)carbazole-3,6-diamine is sourced from PubChem (CID 58983376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).