9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole

C52H34N6 — CID 148971314

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-n3c(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4-n4c5ccccc5c5ccccc54)nc4ccccc43)c2)cc1
InChIInChI=1S/C52H34N6/c1-4-17-35(18-5-1)38-23-16-24-40(33-38)57-48-30-15-12-27-44(48)53-52(57)43-34-39(31-32-47(43)58-45-28-13-10-25-41(45)42-26-11-14-29-46(42)58)51-55-49(36-19-6-2-7-20-36)54-50(56-51)37-21-8-3-9-22-37/h1-34H
InChIKeyPTXRMLWGNLKZBG-UHFFFAOYSA-N
MW742.89 g/mol
LogP12.64
Rot. Bonds7

About 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole (PubChem CID 148971314) has the molecular formula C52H34N6 and a molecular weight of 742.89 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole
PubChem CID148971314
Molecular FormulaC52H34N6
Molecular Weight742.89 g/mol
Exact Mass742.28
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-n3c(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4-n4c5ccccc5c5ccccc54)nc4ccccc43)c2)cc1
InChIInChI=1S/C52H34N6/c1-4-17-35(18-5-1)38-23-16-24-40(33-38)57-48-30-15-12-27-44(48)53-52(57)43-34-39(31-32-47(43)58-45-28-13-10-25-41(45)42-26-11-14-29-46(42)58)51-55-49(36-19-6-2-7-20-36)54-50(56-51)37-21-8-3-9-22-37/h1-34H
InChIKeyPTXRMLWGNLKZBG-UHFFFAOYSA-N
XLogP12.64
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.89
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[3-[4-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 139303393
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole
CID 155173937
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818
9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303352
9-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 165051393
4-[4-[3-[4-phenyl-6-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline
CID 170034469
9-[3-[4-[3-carbazol-9-yl-4-(6-phenylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 139303855
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138
9-[3-[3-[4-[4-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 177124510
9-[4-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[3-[4-phenyl-6-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[4-phenyl-6-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 157395977
9-[2-[3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303447

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole (CID 148971314) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole is c1ccc(-c2cccc(-n3c(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4-n4c5ccccc5c5ccccc54)nc4ccccc43)c2)cc1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole?
The InChIKey is PTXRMLWGNLKZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N6/c1-4-17-35(18-5-1)38-23-16-24-40(33-38)57-48-30-15-12-27-44(48)53-52(57)43-34-39(31-32-47(43)58-45-28-13-10-25-41(45)42-26-11-14-29-46(42)58)51-55-49(36-19-6-2-7-20-36)54-50(56-51)37-21-8-3-9-22-37/h1-34H.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole has a molecular weight of 742.89 g/mol, XLogP of 12.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole is sourced from PubChem (CID 148971314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).