N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene

C112H77ClN4 — CID 159139576

IUPACN-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene
SMILESClc1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C56H38N2.C30H22N2.C26H17Cl/c1-2-12-39(13-3-1)41-26-30-45(31-27-41)57(47-34-36-48(37-35-47)58-55-20-10-8-18-52(55)53-19-9-11-21-56(53)58)46-32-28-42(29-33-46)40-22-24-43(25-23-40)54-38-44-14-4-5-15-49(44)50-16-6-7-17-51(50)54;1-2-8-22(9-3-1)23-14-16-24(17-15-23)31-25-18-20-26(21-19-25)32-29-12-6-4-10-27(29)28-11-5-7-13-30(28)32;27-22-15-13-19(14-16-22)18-9-11-20(12-10-18)26-17-21-5-1-2-6-23(21)24-7-3-4-8-25(24)26/h1-38H;1-21,31H;1-17H
InChIKeyKHXQWRAAEZSTEI-UHFFFAOYSA-N
MW1514.33 g/mol
LogP31.74
Rot. Bonds13

About N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene

N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene (PubChem CID 159139576) has the molecular formula C112H77ClN4 and a molecular weight of 1514.33 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene
PubChem CID159139576
Molecular FormulaC112H77ClN4
Molecular Weight1514.33 g/mol
Exact Mass1512.58
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene
SMILESClc1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C56H38N2.C30H22N2.C26H17Cl/c1-2-12-39(13-3-1)41-26-30-45(31-27-41)57(47-34-36-48(37-35-47)58-55-20-10-8-18-52(55)53-19-9-11-21-56(53)58)46-32-28-42(29-33-46)40-22-24-43(25-23-40)54-38-44-14-4-5-15-49(44)50-16-6-7-17-51(50)54;1-2-8-22(9-3-1)23-14-16-24(17-15-23)31-25-18-20-26(21-19-25)32-29-12-6-4-10-27(29)28-11-5-7-13-30(28)32;27-22-15-13-19(14-16-22)18-9-11-20(12-10-18)26-17-21-5-1-2-6-23(21)24-7-3-4-8-25(24)26/h1-38H;1-21,31H;1-17H
InChIKeyKHXQWRAAEZSTEI-UHFFFAOYSA-N
XLogP31.74
TPSA25.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001514.33
LogP ≤ 531.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene 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

N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-(4-phenylphenyl)naphthalen-1-amine
CID 146580920
1-chloro-4-iodobenzene;N-(4-chlorophenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158166974
N-(4-carbazol-9-ylphenyl)-3-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146580585
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline;4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 159415569
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 146578391
9-phenyl-N-(10-phenylphenanthren-3-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 176766390
N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789636
N-(4-phenanthren-9-ylphenyl)-N,9-diphenylcarbazol-3-amine
CID 89251617
N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 134380568
9-(4-chlorophenyl)phenanthrene;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline;N-(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 163642945
N-(4-carbazol-9-ylphenyl)-2-phenanthren-9-yl-N,3-bis(4-phenylphenyl)aniline
CID 177274974
N,N-bis(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
CID 161225629

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene (CID 159139576) is N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene is Clc1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene?
The InChIKey is KHXQWRAAEZSTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2.C30H22N2.C26H17Cl/c1-2-12-39(13-3-1)41-26-30-45(31-27-41)57(47-34-36-48(37-35-47)58-55-20-10-8-18-52(55)53-19-9-11-21-56(53)58)46-32-28-42(29-33-46)40-22-24-43(25-23-40)54-38-44-14-4-5-15-49(44)50-16-6-7-17-51(50)54;1-2-8-22(9-3-1)23-14-16-24(17-15-23)31-25-18-20-26(21-19-25)32-29-12-6-4-10-27(29)28-11-5-7-13-30(28)32;27-22-15-13-19(14-16-22)18-9-11-20(12-10-18)26-17-21-5-1-2-6-23(21)24-7-3-4-8-25(24)26/h1-38H;1-21,31H;1-17H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene?
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene has a molecular weight of 1514.33 g/mol, XLogP of 31.74, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-phenylaniline;9-[4-(4-chlorophenyl)phenyl]phenanthrene is sourced from PubChem (CID 159139576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).