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

C51H33N5 — CID 168742634

IUPAC9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-c4cccc(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)c4)cc3)c2)cc1
InChIInChI=1S/C51H33N5/c1-2-14-34(15-3-1)37-16-12-17-38(32-37)35-28-30-36(31-29-35)39-18-13-19-40(33-39)49-52-50(55-45-24-8-4-20-41(45)42-21-5-9-25-46(42)55)54-51(53-49)56-47-26-10-6-22-43(47)44-23-7-11-27-48(44)56/h1-33H
InChIKeySZMCMRFJGDXLGH-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.73
Rot. Bonds6

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

9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 168742634) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
PubChem CID168742634
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-c4cccc(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)c4)cc3)c2)cc1
InChIInChI=1S/C51H33N5/c1-2-14-34(15-3-1)37-16-12-17-38(32-37)35-28-30-36(31-29-35)39-18-13-19-40(33-39)49-52-50(55-45-24-8-4-20-41(45)42-21-5-9-25-46(42)55)54-51(53-49)56-47-26-10-6-22-43(47)44-23-7-11-27-48(44)56/h1-33H
InChIKeySZMCMRFJGDXLGH-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-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742666
9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 176831267
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
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-[4-[3-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 58943291
9-[4-carbazol-9-yl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742447
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-[2-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742511
9-[4-carbazol-9-yl-6-[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742695
9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 129197250
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
9-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 165051393

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole (CID 168742634) is 9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2cccc(-c3ccc(-c4cccc(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)c4)cc3)c2)cc1.
What is the InChIKey of 9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is SZMCMRFJGDXLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-2-14-34(15-3-1)37-16-12-17-38(32-37)35-28-30-36(31-29-35)39-18-13-19-40(33-39)49-52-50(55-45-24-8-4-20-41(45)42-21-5-9-25-46(42)55)54-51(53-49)56-47-26-10-6-22-43(47)44-23-7-11-27-48(44)56/h1-33H.
What are the key properties of 9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
9-[4-carbazol-9-yl-6-[3-[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-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 168742634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).