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

C45H30N4 — CID 176831267

IUPAC9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-n5c6ccccc6c6ccccc65)n4)c3)cc2)cc1
InChIInChI=1S/C45H30N4/c1-3-13-31(14-4-1)33-25-27-34(28-26-33)36-18-12-20-38(30-36)44-46-43(37-19-11-17-35(29-37)32-15-5-2-6-16-32)47-45(48-44)49-41-23-9-7-21-39(41)40-22-8-10-24-42(40)49/h1-30H
InChIKeyXOUZEWAUEQOPQF-UHFFFAOYSA-N
MW626.76 g/mol
LogP11.30
Rot. Bonds6

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

9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 176831267) has the molecular formula C45H30N4 and a molecular weight of 626.76 g/mol. Its IUPAC name is 9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
PubChem CID176831267
Molecular FormulaC45H30N4
Molecular Weight626.76 g/mol
Exact Mass626.25
IUPAC Name9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-n5c6ccccc6c6ccccc65)n4)c3)cc2)cc1
InChIInChI=1S/C45H30N4/c1-3-13-31(14-4-1)33-25-27-34(28-26-33)36-18-12-20-38(30-36)44-46-43(37-19-11-17-35(29-37)32-15-5-2-6-16-32)47-45(48-44)49-41-23-9-7-21-39(41)40-22-8-10-24-42(40)49/h1-30H
InChIKeyXOUZEWAUEQOPQF-UHFFFAOYSA-N
XLogP11.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742634
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-carbazol-9-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742506
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-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-[4-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 165051393
9-[4-carbazol-9-yl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742616
9-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155156244
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole (CID 176831267) is 9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc(-c3cccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-n5c6ccccc6c6ccccc65)n4)c3)cc2)cc1.
What is the InChIKey of 9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is XOUZEWAUEQOPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4/c1-3-13-31(14-4-1)33-25-27-34(28-26-33)36-18-12-20-38(30-36)44-46-43(37-19-11-17-35(29-37)32-15-5-2-6-16-32)47-45(48-44)49-41-23-9-7-21-39(41)40-22-8-10-24-42(40)49/h1-30H.
What are the key properties of 9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole?
9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 626.76 g/mol, XLogP of 11.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 176831267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).