9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine

C52H37N5 — CID 126690294

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine
SMILESCc1ccccc1-c1cc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c2cc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C52H37N5/c1-36-18-14-15-27-43(36)45-34-46-44-28-16-17-29-47(44)57(49(46)35-48(45)56(40-23-10-4-11-24-40)41-25-12-5-13-26-41)42-32-30-39(31-33-42)52-54-50(37-19-6-2-7-20-37)53-51(55-52)38-21-8-3-9-22-38/h2-35H,1H3
InChIKeyZXZCYOCBVGWUIB-UHFFFAOYSA-N
MW731.90 g/mol
LogP13.41
Rot. Bonds8

About 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine (PubChem CID 126690294) has the molecular formula C52H37N5 and a molecular weight of 731.90 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine
PubChem CID126690294
Molecular FormulaC52H37N5
Molecular Weight731.90 g/mol
Exact Mass731.30
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine
SMILESCc1ccccc1-c1cc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c2cc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C52H37N5/c1-36-18-14-15-27-43(36)45-34-46-44-28-16-17-29-47(44)57(49(46)35-48(45)56(40-23-10-4-11-24-40)41-25-12-5-13-26-41)42-32-30-39(31-33-42)52-54-50(37-19-6-2-7-20-37)53-51(55-52)38-21-8-3-9-22-38/h2-35H,1H3
InChIKeyZXZCYOCBVGWUIB-UHFFFAOYSA-N
XLogP13.41
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.90
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine
CID 126690357
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N,7-triphenylcarbazol-2-amine
CID 130244628
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)carbazole
CID 146535538
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 139481204
N,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 165036325
22-[4-[4,6-bis[4-(5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaen-22-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaene
CID 88949847
N-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 134472395
N-[3-[2-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 121337606
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine
CID 167363399

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine (CID 126690294) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine is Cc1ccccc1-c1cc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c2cc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine?
The InChIKey is ZXZCYOCBVGWUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N5/c1-36-18-14-15-27-43(36)45-34-46-44-28-16-17-29-47(44)57(49(46)35-48(45)56(40-23-10-4-11-24-40)41-25-12-5-13-26-41)42-32-30-39(31-33-42)52-54-50(37-19-6-2-7-20-37)53-51(55-52)38-21-8-3-9-22-38/h2-35H,1H3.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine has a molecular weight of 731.90 g/mol, XLogP of 13.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine is sourced from PubChem (CID 126690294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).