N-(3-chloro-5-phenylphenyl)-N,9-diphenylcarbazol-2-amine

C36H25ClN2 — CID 165090660

IUPACN-(3-chloro-5-phenylphenyl)-N,9-diphenylcarbazol-2-amine
SMILESClc1cc(-c2ccccc2)cc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1
InChIInChI=1S/C36H25ClN2/c37-28-22-27(26-12-4-1-5-13-26)23-32(24-28)38(29-14-6-2-7-15-29)31-20-21-34-33-18-10-11-19-35(33)39(36(34)25-31)30-16-8-3-9-17-30/h1-25H
InChIKeyAXANUFKUGCKHCD-UHFFFAOYSA-N
MW521.06 g/mol
LogP10.57
Rot. Bonds5

About N-(3-chloro-5-phenylphenyl)-N,9-diphenylcarbazol-2-amine

N-(3-chloro-5-phenylphenyl)-N,9-diphenylcarbazol-2-amine (PubChem CID 165090660) has the molecular formula C36H25ClN2 and a molecular weight of 521.06 g/mol. Its IUPAC name is N-(3-chloro-5-phenylphenyl)-N,9-diphenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-5-phenylphenyl)-N,9-diphenylcarbazol-2-amine
PubChem CID165090660
Molecular FormulaC36H25ClN2
Molecular Weight521.06 g/mol
Exact Mass520.17
IUPAC NameN-(3-chloro-5-phenylphenyl)-N,9-diphenylcarbazol-2-amine
SMILESClc1cc(-c2ccccc2)cc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1
InChIInChI=1S/C36H25ClN2/c37-28-22-27(26-12-4-1-5-13-26)23-32(24-28)38(29-14-6-2-7-15-29)31-20-21-34-33-18-10-11-19-35(33)39(36(34)25-31)30-16-8-3-9-17-30/h1-25H
InChIKeyAXANUFKUGCKHCD-UHFFFAOYSA-N
XLogP10.57
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.06
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3,5-dichlorophenyl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 146589074
N-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 70808585
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 164988539
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
N,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine
CID 121287921
N-(2-chlorophenyl)-N,9-diphenylcarbazol-2-amine;N-(3-chlorophenyl)-N,9-diphenylcarbazol-2-amine;N-(4-chlorophenyl)-N,9-diphenylcarbazol-2-amine;N-(4-chlorophenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine;N-(4-chlorophenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 164977303
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
1-N,1-N,3-N,3-N-tetraphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine
CID 129175640
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
2-carbazol-9-yl-9-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 157469866

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-phenylphenyl)-N,9-diphenylcarbazol-2-amine?
The IUPAC name of N-(3-chloro-5-phenylphenyl)-N,9-diphenylcarbazol-2-amine (CID 165090660) is N-(3-chloro-5-phenylphenyl)-N,9-diphenylcarbazol-2-amine.
What is the SMILES notation for N-(3-chloro-5-phenylphenyl)-N,9-diphenylcarbazol-2-amine?
The canonical SMILES for N-(3-chloro-5-phenylphenyl)-N,9-diphenylcarbazol-2-amine is Clc1cc(-c2ccccc2)cc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.
What is the InChIKey of N-(3-chloro-5-phenylphenyl)-N,9-diphenylcarbazol-2-amine?
The InChIKey is AXANUFKUGCKHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25ClN2/c37-28-22-27(26-12-4-1-5-13-26)23-32(24-28)38(29-14-6-2-7-15-29)31-20-21-34-33-18-10-11-19-35(33)39(36(34)25-31)30-16-8-3-9-17-30/h1-25H.
What are the key properties of N-(3-chloro-5-phenylphenyl)-N,9-diphenylcarbazol-2-amine?
N-(3-chloro-5-phenylphenyl)-N,9-diphenylcarbazol-2-amine has a molecular weight of 521.06 g/mol, XLogP of 10.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-phenylphenyl)-N,9-diphenylcarbazol-2-amine is sourced from PubChem (CID 165090660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).