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

C51H34N4 — CID 153208818

IUPAC9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)n3)cc2)cc1
InChIInChI=1S/C51H34N4/c1-3-13-35(14-4-1)37-25-29-39(30-26-37)49-52-50(40-31-27-38(28-32-40)36-15-5-2-6-16-36)54-51(53-49)43-19-11-17-41(33-43)42-18-12-20-44(34-42)55-47-23-9-7-21-45(47)46-22-8-10-24-48(46)55/h1-34H
InChIKeyWLJCWCZMKOGWBN-UHFFFAOYSA-N
MW702.86 g/mol
LogP12.97
Rot. Bonds7

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

9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (PubChem CID 153208818) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
PubChem CID153208818
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)n3)cc2)cc1
InChIInChI=1S/C51H34N4/c1-3-13-35(14-4-1)37-25-29-39(30-26-37)49-52-50(40-31-27-38(28-32-40)36-15-5-2-6-16-36)54-51(53-49)43-19-11-17-41(33-43)42-18-12-20-44(34-42)55-47-23-9-7-21-45(47)46-22-8-10-24-48(46)55/h1-34H
InChIKeyWLJCWCZMKOGWBN-UHFFFAOYSA-N
XLogP12.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[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-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901354
2-phenyl-9-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170539117
9-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 165051393
9-[3-(4-phenylphenyl)phenyl]-2-[4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087271
9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole;9-[3-[2-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161143543
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236877
9-[3-[4-[2-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 159741626
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836
3-carbazol-9-yl-9-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146828085
3-(3-carbazol-9-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 58943700

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (CID 153208818) is 9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)n3)cc2)cc1.
What is the InChIKey of 9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The InChIKey is WLJCWCZMKOGWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-3-13-35(14-4-1)37-25-29-39(30-26-37)49-52-50(40-31-27-38(28-32-40)36-15-5-2-6-16-36)54-51(53-49)43-19-11-17-41(33-43)42-18-12-20-44(34-42)55-47-23-9-7-21-45(47)46-22-8-10-24-48(46)55/h1-34H.
What are the key properties of 9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole has a molecular weight of 702.86 g/mol, XLogP of 12.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 153208818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).