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

C45H30N4 — CID 177099854

IUPAC9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccccc4c4c(-c5ccccc5)cccc43)c2)cc1
InChIInChI=1S/C45H30N4/c1-5-16-31(17-6-1)35-28-29-38(45-47-43(33-20-9-3-10-21-33)46-44(48-45)34-22-11-4-12-23-34)41(30-35)49-39-26-14-13-24-37(39)42-36(25-15-27-40(42)49)32-18-7-2-8-19-32/h1-30H
InChIKeyWNGBRLICMVUHDW-UHFFFAOYSA-N
MW626.76 g/mol
LogP11.30
Rot. Bonds6

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

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole (PubChem CID 177099854) has the molecular formula C45H30N4 and a molecular weight of 626.76 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole
PubChem CID177099854
Molecular FormulaC45H30N4
Molecular Weight626.76 g/mol
Exact Mass626.25
IUPAC Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccccc4c4c(-c5ccccc5)cccc43)c2)cc1
InChIInChI=1S/C45H30N4/c1-5-16-31(17-6-1)35-28-29-38(45-47-43(33-20-9-3-10-21-33)46-44(48-45)34-22-11-4-12-23-34)41(30-35)49-39-26-14-13-24-37(39)42-36(25-15-27-40(42)49)32-18-7-2-8-19-32/h1-30H
InChIKeyWNGBRLICMVUHDW-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

4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270072
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270121
4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032359
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
2-carbazol-9-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174271990
5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 139303805
4-phenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 167032257
9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 170669730
9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 139303113
9-[4-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole;9-[4-[4-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole;4-[3-[4-[4-carbazol-9-yl-3-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;9-[5-[4-[4-carbazol-9-yl-3-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole;9-[4-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-phenylphenyl)phenyl]carbazole;9-[4-[4-[4-carbazol-9-yl-3-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-phenylphenyl)phenyl]carbazole
CID 157377595
9-[5-phenyl-2-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658891
9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658510

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole?
The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole (CID 177099854) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccccc4c4c(-c5ccccc5)cccc43)c2)cc1.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole?
The InChIKey is WNGBRLICMVUHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4/c1-5-16-31(17-6-1)35-28-29-38(45-47-43(33-20-9-3-10-21-33)46-44(48-45)34-22-11-4-12-23-34)41(30-35)49-39-26-14-13-24-37(39)42-36(25-15-27-40(42)49)32-18-7-2-8-19-32/h1-30H.
What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole?
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole 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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole is sourced from PubChem (CID 177099854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).