9-[4-(3-chlorocarbazol-9-yl)cyclohexyl]-N,N-bis(4-methylphenyl)carbazol-3-amine

C44H38ClN3 — CID 149380355

IUPAC9-[4-(3-chlorocarbazol-9-yl)cyclohexyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2ccccc2n3C2CCC(n3c4ccccc4c4cc(Cl)ccc43)CC2)cc1
InChIInChI=1S/C44H38ClN3/c1-29-11-16-32(17-12-29)46(33-18-13-30(2)14-19-33)36-24-26-44-40(28-36)38-8-4-6-10-42(38)48(44)35-22-20-34(21-23-35)47-41-9-5-3-7-37(41)39-27-31(45)15-25-43(39)47/h3-19,24-28,34-35H,20-23H2,1-2H3
InChIKeyYLNIAKAIHLGRFK-UHFFFAOYSA-N
MW644.26 g/mol
LogP13.00
Rot. Bonds5

About 9-[4-(3-chlorocarbazol-9-yl)cyclohexyl]-N,N-bis(4-methylphenyl)carbazol-3-amine

9-[4-(3-chlorocarbazol-9-yl)cyclohexyl]-N,N-bis(4-methylphenyl)carbazol-3-amine (PubChem CID 149380355) has the molecular formula C44H38ClN3 and a molecular weight of 644.26 g/mol. Its IUPAC name is 9-[4-(3-chlorocarbazol-9-yl)cyclohexyl]-N,N-bis(4-methylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name9-[4-(3-chlorocarbazol-9-yl)cyclohexyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
PubChem CID149380355
Molecular FormulaC44H38ClN3
Molecular Weight644.26 g/mol
Exact Mass643.28
IUPAC Name9-[4-(3-chlorocarbazol-9-yl)cyclohexyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2ccccc2n3C2CCC(n3c4ccccc4c4cc(Cl)ccc43)CC2)cc1
InChIInChI=1S/C44H38ClN3/c1-29-11-16-32(17-12-29)46(33-18-13-30(2)14-19-33)36-24-26-44-40(28-36)38-8-4-6-10-42(38)48(44)35-22-20-34(21-23-35)47-41-9-5-3-7-37(41)39-27-31(45)15-25-43(39)47/h3-19,24-28,34-35H,20-23H2,1-2H3
InChIKeyYLNIAKAIHLGRFK-UHFFFAOYSA-N
XLogP13.00
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.26
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
N-(4-methylphenyl)-9-[(2,4,5-trifluorophenyl)methyl]-N-[9-[(2,4,5-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine
CID 59760502
9-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 168736678
5-N,5-N,18-N,18-N-tetrakis(4-methylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene-5,18-diamine
CID 89010641
2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine
CID 20733869
9-[2-[3,6-bis[(9-ethylcarbazol-2-yl)-(9-ethylcarbazol-3-yl)amino]carbazol-9-yl]-3,4-dimethylcyclobutyl]-3-N,6-N-bis(9-ethylcarbazol-2-yl)-3-N,6-N-bis(9-ethylcarbazol-3-yl)carbazole-3,6-diamine
CID 168736679
N-[4-[4-(9-cyclohexylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N,4-diphenylaniline;N-[4-[5-(9-cyclohexylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N,4-diphenylaniline;N-[4-[3-(9-cyclohexylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;3-[3-(9-cyclohexylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;3-[4-(9-cyclohexylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;4-[4-(9-cyclohexylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 161496271
9-[(3-fluoro-4-iodophenyl)methyl]-N-[9-[(3-fluoro-4-iodophenyl)methyl]carbazol-3-yl]-N-(4-methylphenyl)carbazol-3-amine
CID 147253254
2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine
CID 58501357
6-N,16-N-bis(4-methylphenyl)-6-N,16-N-bis[9-(4-methylphenyl)carbazol-3-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-6,16-diamine
CID 58501326
6-methyl-N,N-diphenyl-9-propan-2-ylcarbazol-3-amine;toluene
CID 142539039

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-chlorocarbazol-9-yl)cyclohexyl]-N,N-bis(4-methylphenyl)carbazol-3-amine?
The IUPAC name of 9-[4-(3-chlorocarbazol-9-yl)cyclohexyl]-N,N-bis(4-methylphenyl)carbazol-3-amine (CID 149380355) is 9-[4-(3-chlorocarbazol-9-yl)cyclohexyl]-N,N-bis(4-methylphenyl)carbazol-3-amine.
What is the SMILES notation for 9-[4-(3-chlorocarbazol-9-yl)cyclohexyl]-N,N-bis(4-methylphenyl)carbazol-3-amine?
The canonical SMILES for 9-[4-(3-chlorocarbazol-9-yl)cyclohexyl]-N,N-bis(4-methylphenyl)carbazol-3-amine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2ccccc2n3C2CCC(n3c4ccccc4c4cc(Cl)ccc43)CC2)cc1.
What is the InChIKey of 9-[4-(3-chlorocarbazol-9-yl)cyclohexyl]-N,N-bis(4-methylphenyl)carbazol-3-amine?
The InChIKey is YLNIAKAIHLGRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38ClN3/c1-29-11-16-32(17-12-29)46(33-18-13-30(2)14-19-33)36-24-26-44-40(28-36)38-8-4-6-10-42(38)48(44)35-22-20-34(21-23-35)47-41-9-5-3-7-37(41)39-27-31(45)15-25-43(39)47/h3-19,24-28,34-35H,20-23H2,1-2H3.
What are the key properties of 9-[4-(3-chlorocarbazol-9-yl)cyclohexyl]-N,N-bis(4-methylphenyl)carbazol-3-amine?
9-[4-(3-chlorocarbazol-9-yl)cyclohexyl]-N,N-bis(4-methylphenyl)carbazol-3-amine has a molecular weight of 644.26 g/mol, XLogP of 13.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-chlorocarbazol-9-yl)cyclohexyl]-N,N-bis(4-methylphenyl)carbazol-3-amine is sourced from PubChem (CID 149380355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).