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

C51H33N5 — CID 163436975

IUPAC9-[4-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)cc(-n4c5ccccc5c5ccccc54)c3)c2)cc1
InChIInChI=1S/C51H33N5/c1-3-16-34(17-4-1)36-20-15-21-37(30-36)38-31-39(33-40(32-38)55-45-26-11-7-22-41(45)42-23-8-12-27-46(42)55)50-52-49(35-18-5-2-6-19-35)53-51(54-50)56-47-28-13-9-24-43(47)44-25-10-14-29-48(44)56/h1-33H
InChIKeyAVIGUESZYCGLQO-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.73
Rot. Bonds6

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

9-[4-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 163436975) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 9-[4-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
PubChem CID163436975
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name9-[4-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)cc(-n4c5ccccc5c5ccccc54)c3)c2)cc1
InChIInChI=1S/C51H33N5/c1-3-16-34(17-4-1)36-20-15-21-37(30-36)38-31-39(33-40(32-38)55-45-26-11-7-22-41(45)42-23-8-12-27-46(42)55)50-52-49(35-18-5-2-6-19-35)53-51(54-50)56-47-28-13-9-24-43(47)44-25-10-14-29-48(44)56/h1-33H
InChIKeyAVIGUESZYCGLQO-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-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole
CID 139303922
9-[3-carbazol-9-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 58943250
9-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 165051393
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818
9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 158533687
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
9-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901354
9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 176831267
3-carbazol-9-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170132851
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)carbazole
CID 150934071
9-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155156244

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 163436975) is 9-[4-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)cc(-n4c5ccccc5c5ccccc54)c3)c2)cc1.
What is the InChIKey of 9-[4-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is AVIGUESZYCGLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-3-16-34(17-4-1)36-20-15-21-37(30-36)38-31-39(33-40(32-38)55-45-26-11-7-22-41(45)42-23-8-12-27-46(42)55)50-52-49(35-18-5-2-6-19-35)53-51(54-50)56-47-28-13-9-24-43(47)44-25-10-14-29-48(44)56/h1-33H.
What are the key properties of 9-[4-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole?
9-[4-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-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-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 163436975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).