11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine

C49H33N5 — CID 167363399

IUPAC11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3c5ccccc5c(N(c5ccccc5)c5ccccc5)cc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C49H33N5/c1-6-19-34(20-7-1)47-50-48(35-21-8-2-9-22-35)52-49(51-47)41-31-18-32-42-46(41)45-40-30-17-16-29-39(40)43(33-44(45)54(42)38-27-14-5-15-28-38)53(36-23-10-3-11-24-36)37-25-12-4-13-26-37/h1-33H
InChIKeyPZEQHBWJSANCOO-UHFFFAOYSA-N
MW691.84 g/mol
LogP12.59
Rot. Bonds7

About 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine (PubChem CID 167363399) has the molecular formula C49H33N5 and a molecular weight of 691.84 g/mol. Its IUPAC name is 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine.

Molecular Properties

Compound Name11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine
PubChem CID167363399
Molecular FormulaC49H33N5
Molecular Weight691.84 g/mol
Exact Mass691.27
IUPAC Name11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3c5ccccc5c(N(c5ccccc5)c5ccccc5)cc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C49H33N5/c1-6-19-34(20-7-1)47-50-48(35-21-8-2-9-22-35)52-49(51-47)41-31-18-32-42-46(41)45-40-30-17-16-29-39(40)43(33-44(45)54(42)38-27-14-5-15-28-38)53(36-23-10-3-11-24-36)37-25-12-4-13-26-37/h1-33H
InChIKeyPZEQHBWJSANCOO-UHFFFAOYSA-N
XLogP12.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.84
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine 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

4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-N,N-diphenylaniline
CID 121422435
9-N,9-N,15-N,15-N,12-pentakis-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487388
9-N,9-N,15-N,15-N-tetraphenyl-12-(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487397
25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 163606277
N-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 134472395
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 155473781
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,18,19-triphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
CID 167285263
9-N,15-N-bis(4-benzo[c]carbazol-7-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 154593333
2,4,9-triphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 171437944
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-23-phenyl-23-azahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1,3,5(22),6,8,10,12,14,16(21),17,19-undecaene
CID 162733370
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N-diphenylcarbazol-2-amine
CID 126690294
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118449603

Frequently Asked Questions

What is the IUPAC name of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine?
The IUPAC name of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine (CID 167363399) is 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine.
What is the SMILES notation for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine?
The canonical SMILES for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3c5ccccc5c(N(c5ccccc5)c5ccccc5)cc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine?
The InChIKey is PZEQHBWJSANCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N5/c1-6-19-34(20-7-1)47-50-48(35-21-8-2-9-22-35)52-49(51-47)41-31-18-32-42-46(41)45-40-30-17-16-29-39(40)43(33-44(45)54(42)38-27-14-5-15-28-38)53(36-23-10-3-11-24-36)37-25-12-4-13-26-37/h1-33H.
What are the key properties of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine?
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine has a molecular weight of 691.84 g/mol, XLogP of 12.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N,7-triphenylbenzo[c]carbazol-5-amine is sourced from PubChem (CID 167363399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).