2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

C51H34N4 — CID 155087454

IUPAC2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6ccc(-c7ccccc7)cc6n(-c6ccc(-c7ccccc7)cc6)c5c4)n3)cc2)cc1
InChIInChI=1S/C51H34N4/c1-5-13-35(14-6-1)38-21-23-41(24-22-38)50-52-49(40-19-11-4-12-20-40)53-51(54-50)43-28-32-46-45-31-27-42(37-17-9-3-10-18-37)33-47(45)55(48(46)34-43)44-29-25-39(26-30-44)36-15-7-2-8-16-36/h1-34H
InChIKeyPWLHLAAVURRQEZ-UHFFFAOYSA-N
MW702.86 g/mol
LogP12.97
Rot. Bonds7

About 2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 155087454) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
PubChem CID155087454
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6ccc(-c7ccccc7)cc6n(-c6ccc(-c7ccccc7)cc6)c5c4)n3)cc2)cc1
InChIInChI=1S/C51H34N4/c1-5-13-35(14-6-1)38-21-23-41(24-22-38)50-52-49(40-19-11-4-12-20-40)53-51(54-50)43-28-32-46-45-31-27-42(37-17-9-3-10-18-37)33-47(45)55(48(46)34-43)44-29-25-39(26-30-44)36-15-7-2-8-16-36/h1-34H
InChIKeyPWLHLAAVURRQEZ-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

2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 88878761
6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087253
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 142377805
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167
9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087328
9-(3,5-diphenylphenyl)-2-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087301
2-phenyl-9-(3-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087458
9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171438085
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878713
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-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 71287146
2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 145151686

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 155087454) is 2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6ccc(-c7ccccc7)cc6n(-c6ccc(-c7ccccc7)cc6)c5c4)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is PWLHLAAVURRQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-5-13-35(14-6-1)38-21-23-41(24-22-38)50-52-49(40-19-11-4-12-20-40)53-51(54-50)43-28-32-46-45-31-27-42(37-17-9-3-10-18-37)33-47(45)55(48(46)34-43)44-29-25-39(26-30-44)36-15-7-2-8-16-36/h1-34H.
What are the key properties of 2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]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 2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 155087454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).