N-[2,6-bis(3-phenylphenyl)phenyl]-N-(3-chloro-5-phenylphenyl)-9-phenylcarbazol-3-amine

C60H41ClN2 — CID 176811982

IUPACN-[2,6-bis(3-phenylphenyl)phenyl]-N-(3-chloro-5-phenylphenyl)-9-phenylcarbazol-3-amine
SMILESClc1cc(-c2ccccc2)cc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(-c3cccc(-c4ccccc4)c3)cccc2-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C60H41ClN2/c61-50-38-49(44-22-9-3-10-23-44)39-53(40-50)62(52-34-35-59-57(41-52)56-30-13-14-33-58(56)63(59)51-28-11-4-12-29-51)60-54(47-26-15-24-45(36-47)42-18-5-1-6-19-42)31-17-32-55(60)48-27-16-25-46(37-48)43-20-7-2-8-21-43/h1-41H
InChIKeyHBGZLFQTNNDSNY-UHFFFAOYSA-N
MW825.46 g/mol
LogP17.24
Rot. Bonds9

About N-[2,6-bis(3-phenylphenyl)phenyl]-N-(3-chloro-5-phenylphenyl)-9-phenylcarbazol-3-amine

N-[2,6-bis(3-phenylphenyl)phenyl]-N-(3-chloro-5-phenylphenyl)-9-phenylcarbazol-3-amine (PubChem CID 176811982) has the molecular formula C60H41ClN2 and a molecular weight of 825.46 g/mol. Its IUPAC name is N-[2,6-bis(3-phenylphenyl)phenyl]-N-(3-chloro-5-phenylphenyl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[2,6-bis(3-phenylphenyl)phenyl]-N-(3-chloro-5-phenylphenyl)-9-phenylcarbazol-3-amine
PubChem CID176811982
Molecular FormulaC60H41ClN2
Molecular Weight825.46 g/mol
Exact Mass824.30
IUPAC NameN-[2,6-bis(3-phenylphenyl)phenyl]-N-(3-chloro-5-phenylphenyl)-9-phenylcarbazol-3-amine
SMILESClc1cc(-c2ccccc2)cc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(-c3cccc(-c4ccccc4)c3)cccc2-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C60H41ClN2/c61-50-38-49(44-22-9-3-10-23-44)39-53(40-50)62(52-34-35-59-57(41-52)56-30-13-14-33-58(56)63(59)51-28-11-4-12-29-51)60-54(47-26-15-24-45(36-47)42-18-5-1-6-19-42)31-17-32-55(60)48-27-16-25-46(37-48)43-20-7-2-8-21-43/h1-41H
InChIKeyHBGZLFQTNNDSNY-UHFFFAOYSA-N
XLogP17.24
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.46
LogP ≤ 517.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790655
3-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168789959
N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103160
N-phenyl-3-(9-phenylcarbazol-3-yl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788475
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
N-(3-chloro-5-phenylphenyl)-N,9-diphenylcarbazol-2-amine
CID 165090660
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline
CID 134236787
N-[3-(3,5-dichlorophenyl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 146589074
N,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 157146529
5-tert-butyl-1-N,3-N-bis(3-carbazol-9-ylphenyl)-1-N,3-N-bis[2-phenyl-6-(3-phenylphenyl)phenyl]benzene-1,3-diamine
CID 176815097

Frequently Asked Questions

What is the IUPAC name of N-[2,6-bis(3-phenylphenyl)phenyl]-N-(3-chloro-5-phenylphenyl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-[2,6-bis(3-phenylphenyl)phenyl]-N-(3-chloro-5-phenylphenyl)-9-phenylcarbazol-3-amine (CID 176811982) is N-[2,6-bis(3-phenylphenyl)phenyl]-N-(3-chloro-5-phenylphenyl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-[2,6-bis(3-phenylphenyl)phenyl]-N-(3-chloro-5-phenylphenyl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-[2,6-bis(3-phenylphenyl)phenyl]-N-(3-chloro-5-phenylphenyl)-9-phenylcarbazol-3-amine is Clc1cc(-c2ccccc2)cc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2c(-c3cccc(-c4ccccc4)c3)cccc2-c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of N-[2,6-bis(3-phenylphenyl)phenyl]-N-(3-chloro-5-phenylphenyl)-9-phenylcarbazol-3-amine?
The InChIKey is HBGZLFQTNNDSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41ClN2/c61-50-38-49(44-22-9-3-10-23-44)39-53(40-50)62(52-34-35-59-57(41-52)56-30-13-14-33-58(56)63(59)51-28-11-4-12-29-51)60-54(47-26-15-24-45(36-47)42-18-5-1-6-19-42)31-17-32-55(60)48-27-16-25-46(37-48)43-20-7-2-8-21-43/h1-41H.
What are the key properties of N-[2,6-bis(3-phenylphenyl)phenyl]-N-(3-chloro-5-phenylphenyl)-9-phenylcarbazol-3-amine?
N-[2,6-bis(3-phenylphenyl)phenyl]-N-(3-chloro-5-phenylphenyl)-9-phenylcarbazol-3-amine has a molecular weight of 825.46 g/mol, XLogP of 17.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-bis(3-phenylphenyl)phenyl]-N-(3-chloro-5-phenylphenyl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 176811982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).