2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole

C43H28N4 — CID 130351139

IUPAC2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccc6c(c5c4)c4ccccc4n6-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C43H28N4/c1-4-13-30(14-5-1)41-44-42(31-15-6-2-7-16-31)46-43(45-41)34-18-12-17-32(27-34)33-24-23-29-25-26-39-40(37(29)28-33)36-21-10-11-22-38(36)47(39)35-19-8-3-9-20-35/h1-28H
InChIKeyFVNSJPFSUPILLS-UHFFFAOYSA-N
MW600.73 g/mol
LogP10.79
Rot. Bonds5

About 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole (PubChem CID 130351139) has the molecular formula C43H28N4 and a molecular weight of 600.73 g/mol. Its IUPAC name is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole.

Molecular Properties

Compound Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole
PubChem CID130351139
Molecular FormulaC43H28N4
Molecular Weight600.73 g/mol
Exact Mass600.23
IUPAC Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccc6c(c5c4)c4ccccc4n6-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C43H28N4/c1-4-13-30(14-5-1)41-44-42(31-15-6-2-7-16-31)46-43(45-41)34-18-12-17-32(27-34)33-24-23-29-25-26-39-40(37(29)28-33)36-21-10-11-22-38(36)47(39)35-19-8-3-9-20-35/h1-28H
InChIKeyFVNSJPFSUPILLS-UHFFFAOYSA-N
XLogP10.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.73
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenanthren-3-ylbenzo[c]carbazole
CID 131979656
9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139496806
7-[3-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166915910
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 118133204
7-[4-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166916612
9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-phenylphenyl)-14-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 160744147
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole
CID 130351579
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenanthren-3-ylbenzo[c]carbazole
CID 131979639
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518
14-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,9-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 155153308
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 139481059
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole?
The IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole (CID 130351139) is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole.
What is the SMILES notation for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole?
The canonical SMILES for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5ccc6c(c5c4)c4ccccc4n6-c4ccccc4)c3)n2)cc1.
What is the InChIKey of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole?
The InChIKey is FVNSJPFSUPILLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4/c1-4-13-30(14-5-1)41-44-42(31-15-6-2-7-16-31)46-43(45-41)34-18-12-17-32(27-34)33-24-23-29-25-26-39-40(37(29)28-33)36-21-10-11-22-38(36)47(39)35-19-8-3-9-20-35/h1-28H.
What are the key properties of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole?
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole has a molecular weight of 600.73 g/mol, XLogP of 10.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]carbazole is sourced from PubChem (CID 130351139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).