N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine

C60H40N4 — CID 170286553

IUPACN-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cc32)cc1
InChIInChI=1S/C60H40N4/c1-3-18-42(19-4-1)63-57-31-14-10-26-53(57)60-48(27-16-32-58(60)63)41-17-15-22-46(39-41)61(44-33-35-45(36-34-44)62-54-28-11-7-23-49(54)50-24-8-12-29-55(50)62)47-37-38-52-51-25-9-13-30-56(51)64(59(52)40-47)43-20-5-2-6-21-43/h1-40H
InChIKeyBOTURDWXLHEFNP-UHFFFAOYSA-N
MW817.01 g/mol
LogP16.11
Rot. Bonds7

About N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine

N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine (PubChem CID 170286553) has the molecular formula C60H40N4 and a molecular weight of 817.01 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine
PubChem CID170286553
Molecular FormulaC60H40N4
Molecular Weight817.01 g/mol
Exact Mass816.33
IUPAC NameN-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cc32)cc1
InChIInChI=1S/C60H40N4/c1-3-18-42(19-4-1)63-57-31-14-10-26-53(57)60-48(27-16-32-58(60)63)41-17-15-22-46(39-41)61(44-33-35-45(36-34-44)62-54-28-11-7-23-49(54)50-24-8-12-29-55(50)62)47-37-38-52-51-25-9-13-30-56(51)64(59(52)40-47)43-20-5-2-6-21-43/h1-40H
InChIKeyBOTURDWXLHEFNP-UHFFFAOYSA-N
XLogP16.11
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.01
LogP ≤ 516.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[3-(9-phenylcarbazol-4-yl)phenyl]benzene-1,3-diamine
CID 177275916
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 169009961
N,N,5,9-tetraphenylcarbazol-2-amine
CID 155156029
3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659605
3-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166660552
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660208
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 167196004
3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166660074
N,9-diphenyl-5-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169009789
N-phenanthren-2-yl-9-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-2-amine
CID 177077814
N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline
CID 167195663
5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169009943

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine (CID 170286553) is N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cc32)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine?
The InChIKey is BOTURDWXLHEFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4/c1-3-18-42(19-4-1)63-57-31-14-10-26-53(57)60-48(27-16-32-58(60)63)41-17-15-22-46(39-41)61(44-33-35-45(36-34-44)62-54-28-11-7-23-49(54)50-24-8-12-29-55(50)62)47-37-38-52-51-25-9-13-30-56(51)64(59(52)40-47)43-20-5-2-6-21-43/h1-40H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine?
N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine has a molecular weight of 817.01 g/mol, XLogP of 16.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine is sourced from PubChem (CID 170286553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).