9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazol-2-yl]pyrido[2,3-b]indole

C48H30N6 — CID 156577735

IUPAC9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazol-2-yl]pyrido[2,3-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3ccc(-n5c6ccccc6c6cccnc65)cc3n4-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C48H30N6/c1-3-14-32(15-4-1)45-50-46(33-16-5-2-6-17-33)52-47(51-45)40-20-11-23-42-44(40)39-27-26-36(54-41-22-10-9-19-37(41)38-21-12-28-49-48(38)54)30-43(39)53(42)35-25-24-31-13-7-8-18-34(31)29-35/h1-30H
InChIKeyMXMMLHOEOQJAKM-UHFFFAOYSA-N
MW690.81 g/mol
LogP11.61
Rot. Bonds5

About 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazol-2-yl]pyrido[2,3-b]indole

9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazol-2-yl]pyrido[2,3-b]indole (PubChem CID 156577735) has the molecular formula C48H30N6 and a molecular weight of 690.81 g/mol. Its IUPAC name is 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazol-2-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazol-2-yl]pyrido[2,3-b]indole
PubChem CID156577735
Molecular FormulaC48H30N6
Molecular Weight690.81 g/mol
Exact Mass690.25
IUPAC Name9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazol-2-yl]pyrido[2,3-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3ccc(-n5c6ccccc6c6cccnc65)cc3n4-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C48H30N6/c1-3-14-32(15-4-1)45-50-46(33-16-5-2-6-17-33)52-47(51-45)40-20-11-23-42-44(40)39-27-26-36(54-41-22-10-9-19-37(41)38-21-12-28-49-48(38)54)30-43(39)53(42)35-25-24-31-13-7-8-18-34(31)29-35/h1-30H
InChIKeyMXMMLHOEOQJAKM-UHFFFAOYSA-N
XLogP11.61
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.81
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 129221779
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]pyrido[2,3-b]indole
CID 156577704
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 156530949
9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 169276047
9-[9-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]pyrido[2,3-b]indole
CID 156577699
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole;9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 158468921
5-[3-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621946
8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;8-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylpyrido[2,3-b]indole;9-phenyl-8-(9-phenylcarbazol-3-yl)pyrido[2,3-b]indole;9-phenyl-8-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole
CID 159351026
6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 157443985
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221371
7-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;7-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;9-phenyl-7-[9-[3-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)phenyl]carbazol-4-yl]pyrido[2,3-b]indole
CID 161116554
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 139524704

Frequently Asked Questions

What is the IUPAC name of 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazol-2-yl]pyrido[2,3-b]indole?
The IUPAC name of 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazol-2-yl]pyrido[2,3-b]indole (CID 156577735) is 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazol-2-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazol-2-yl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazol-2-yl]pyrido[2,3-b]indole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3ccc(-n5c6ccccc6c6cccnc65)cc3n4-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazol-2-yl]pyrido[2,3-b]indole?
The InChIKey is MXMMLHOEOQJAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6/c1-3-14-32(15-4-1)45-50-46(33-16-5-2-6-17-33)52-47(51-45)40-20-11-23-42-44(40)39-27-26-36(54-41-22-10-9-19-37(41)38-21-12-28-49-48(38)54)30-43(39)53(42)35-25-24-31-13-7-8-18-34(31)29-35/h1-30H.
What are the key properties of 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazol-2-yl]pyrido[2,3-b]indole?
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazol-2-yl]pyrido[2,3-b]indole has a molecular weight of 690.81 g/mol, XLogP of 11.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-2-ylcarbazol-2-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 156577735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).