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

C51H33N5 — CID 168742695

IUPAC9-[4-carbazol-9-yl-6-[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccccc4-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3)c2)cc1
InChIInChI=1S/C51H33N5/c1-2-15-34(16-3-1)37-17-14-18-38(33-37)35-29-31-36(32-30-35)39-19-4-5-24-44(39)49-52-50(55-45-25-10-6-20-40(45)41-21-7-11-26-46(41)55)54-51(53-49)56-47-27-12-8-22-42(47)43-23-9-13-28-48(43)56/h1-33H
InChIKeyMIMIRHAVARBZRC-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.73
Rot. Bonds6

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

9-[4-carbazol-9-yl-6-[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 168742695) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
PubChem CID168742695
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name9-[4-carbazol-9-yl-6-[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccccc4-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3)c2)cc1
InChIInChI=1S/C51H33N5/c1-2-15-34(16-3-1)37-17-14-18-38(33-37)35-29-31-36(32-30-35)39-19-4-5-24-44(39)49-52-50(55-45-25-10-6-20-40(45)41-21-7-11-26-46(41)55)54-51(53-49)56-47-27-12-8-22-42(47)43-23-9-13-28-48(43)56/h1-33H
InChIKeyMIMIRHAVARBZRC-UHFFFAOYSA-N
XLogP12.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-carbazol-9-yl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742480
9-[4-carbazol-9-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742610
9-[4-carbazol-9-yl-6-[3-[2-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742511
9-[4-carbazol-9-yl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742616
9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742634
9-[4-carbazol-9-yl-6-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742666
3,6-bis(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158605707
9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742588
9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 176831267
9-[3-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenylcarbazole
CID 171468732
1-phenyl-9-[4-phenyl-6-[3-[2-[3-[3-[4-phenyl-6-[1-(4-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 137397297
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole (CID 168742695) is 9-[4-carbazol-9-yl-6-[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2cccc(-c3ccc(-c4ccccc4-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3)c2)cc1.
What is the InChIKey of 9-[4-carbazol-9-yl-6-[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is MIMIRHAVARBZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-2-15-34(16-3-1)37-17-14-18-38(33-37)35-29-31-36(32-30-35)39-19-4-5-24-44(39)49-52-50(55-45-25-10-6-20-40(45)41-21-7-11-26-46(41)55)54-51(53-49)56-47-27-12-8-22-42(47)43-23-9-13-28-48(43)56/h1-33H.
What are the key properties of 9-[4-carbazol-9-yl-6-[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
9-[4-carbazol-9-yl-6-[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 715.86 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-6-[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 168742695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).