N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline

C58H40N4 — CID 145110624

IUPACN,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccn6)cc5)c5ccc(-c6ccccn6)cc5)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C58H40N4/c1-4-14-41(15-5-1)47-39-52(43-16-6-2-7-17-43)58-54(40-47)53-38-46(28-35-57(53)62(58)48-18-8-3-9-19-48)42-22-29-49(30-23-42)61(50-31-24-44(25-32-50)55-20-10-12-36-59-55)51-33-26-45(27-34-51)56-21-11-13-37-60-56/h1-40H
InChIKeyIBADUXKZCABPKY-UHFFFAOYSA-N
MW792.99 g/mol
LogP15.38
Rot. Bonds9

About N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline

N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline (PubChem CID 145110624) has the molecular formula C58H40N4 and a molecular weight of 792.99 g/mol. Its IUPAC name is N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline.

Molecular Properties

Compound NameN,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline
PubChem CID145110624
Molecular FormulaC58H40N4
Molecular Weight792.99 g/mol
Exact Mass792.33
IUPAC NameN,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccn6)cc5)c5ccc(-c6ccccn6)cc5)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C58H40N4/c1-4-14-41(15-5-1)47-39-52(43-16-6-2-7-17-43)58-54(40-47)53-38-46(28-35-57(53)62(58)48-18-8-3-9-19-48)42-22-29-49(30-23-42)61(50-31-24-44(25-32-50)55-20-10-12-36-59-55)51-33-26-45(27-34-51)56-21-11-13-37-60-56/h1-40H
InChIKeyIBADUXKZCABPKY-UHFFFAOYSA-N
XLogP15.38
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.99
LogP ≤ 515.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline 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

1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
3-N,3-N,6-N,6-N-tetraphenyl-9-[4-(4-pyridin-2-ylphenyl)phenyl]carbazole-3,6-diamine
CID 130354274
4-phenyl-N-(4-phenylphenyl)-N-[4-(3,8,11,12-tetraphenylindolo[2,3-a]carbazol-5-yl)phenyl]aniline
CID 90126284
9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
CID 126503570
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)fluoren-2-amine
CID 71248523
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,6-triphenylcarbazol-9-yl)phenyl]phenyl]fluoren-2-amine
CID 121445598
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
3,5-bis(4-tert-butylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-(4-pyridin-2-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-pyridin-3-ylphenyl)aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)aniline
CID 158527673
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-6,8,9-triphenylcarbazol-3-amine
CID 177286461
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,5-triphenylcarbazol-9-yl)phenyl]phenyl]aniline
CID 145110606

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline?
The IUPAC name of N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline (CID 145110624) is N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline.
What is the SMILES notation for N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline?
The canonical SMILES for N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline is c1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccn6)cc5)c5ccc(-c6ccccn6)cc5)cc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline?
The InChIKey is IBADUXKZCABPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N4/c1-4-14-41(15-5-1)47-39-52(43-16-6-2-7-17-43)58-54(40-47)53-38-46(28-35-57(53)62(58)48-18-8-3-9-19-48)42-22-29-49(30-23-42)61(50-31-24-44(25-32-50)55-20-10-12-36-59-55)51-33-26-45(27-34-51)56-21-11-13-37-60-56/h1-40H.
What are the key properties of N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline?
N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline has a molecular weight of 792.99 g/mol, XLogP of 15.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline is sourced from PubChem (CID 145110624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).