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

C51H33N5 — CID 168742610

IUPAC9-[4-carbazol-9-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3ccccc3-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccc(-c6ccccc6)cc54)n3)cc2)cc1
InChIInChI=1S/C51H33N5/c1-3-15-34(16-4-1)36-27-29-37(30-28-36)39-19-7-8-23-44(39)49-52-50(55-45-24-12-9-20-40(45)41-21-10-13-25-46(41)55)54-51(53-49)56-47-26-14-11-22-42(47)43-32-31-38(33-48(43)56)35-17-5-2-6-18-35/h1-33H
InChIKeyDXUZWSSYPTWMBH-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.73
Rot. Bonds6

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

9-[4-carbazol-9-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole (PubChem CID 168742610) 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-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
PubChem CID168742610
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name9-[4-carbazol-9-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3ccccc3-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccc(-c6ccccc6)cc54)n3)cc2)cc1
InChIInChI=1S/C51H33N5/c1-3-15-34(16-4-1)36-27-29-37(30-28-36)39-19-7-8-23-44(39)49-52-50(55-45-24-12-9-20-40(45)41-21-10-13-25-46(41)55)54-51(53-49)56-47-26-14-11-22-42(47)43-32-31-38(33-48(43)56)35-17-5-2-6-18-35/h1-33H
InChIKeyDXUZWSSYPTWMBH-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-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742588
9-[4-carbazol-9-yl-6-[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742695
3-(9-phenylcarbazol-2-yl)-9-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 134236507
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-phenylphenyl)carbazole
CID 142377778
9-[4-carbazol-9-yl-6-(2-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742494
9-[4-carbazol-9-yl-6-(2-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 163606891
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-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742506
9-[4-carbazol-9-yl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742616
9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878720
2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 134236586

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole (CID 168742610) is 9-[4-carbazol-9-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole is c1ccc(-c2ccc(-c3ccccc3-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccc(-c6ccccc6)cc54)n3)cc2)cc1.
What is the InChIKey of 9-[4-carbazol-9-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole?
The InChIKey is DXUZWSSYPTWMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-3-15-34(16-4-1)36-27-29-37(30-28-36)39-19-7-8-23-44(39)49-52-50(55-45-24-12-9-20-40(45)41-21-10-13-25-46(41)55)54-51(53-49)56-47-26-14-11-22-42(47)43-32-31-38(33-48(43)56)35-17-5-2-6-18-35/h1-33H.
What are the key properties of 9-[4-carbazol-9-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole?
9-[4-carbazol-9-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole 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-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole is sourced from PubChem (CID 168742610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).