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

C45H30N4 — CID 176765501

IUPAC9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-diphenylphenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccccc4)ccc(-c4ccccc4)c3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C45H30N4/c1-5-17-31(18-6-1)35-29-30-36(32-19-7-2-8-20-32)42(49-39-27-15-13-25-37(39)38-26-14-16-28-40(38)49)41(35)45-47-43(33-21-9-3-10-22-33)46-44(48-45)34-23-11-4-12-24-34/h1-30H
InChIKeyBGKGCXSQPUWSRN-UHFFFAOYSA-N
MW626.76 g/mol
LogP11.30
Rot. Bonds6

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

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-diphenylphenyl]carbazole (PubChem CID 176765501) 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)-3,6-diphenylphenyl]carbazole.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-diphenylphenyl]carbazole
PubChem CID176765501
Molecular FormulaC45H30N4
Molecular Weight626.76 g/mol
Exact Mass626.25
IUPAC Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-diphenylphenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccccc4)ccc(-c4ccccc4)c3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C45H30N4/c1-5-17-31(18-6-1)35-29-30-36(32-19-7-2-8-20-32)42(49-39-27-15-13-25-37(39)38-26-14-16-28-40(38)49)41(35)45-47-43(33-21-9-3-10-22-33)46-44(48-45)34-23-11-4-12-24-34/h1-30H
InChIKeyBGKGCXSQPUWSRN-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-[3-carbazol-9-yl-4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 177087593
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole
CID 171438087
9-[4-carbazol-9-yl-6-[2,6-di(carbazol-9-yl)-3-phenylphenyl]-1,3,5-triazin-2-yl]carbazole
CID 176765467
9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 176837753
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 170111581
9-[4-[2,3-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole
CID 158442826
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,12-diphenyl-[1]benzofuro[3,2-a]carbazole
CID 163503973
5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 168835045
9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole
CID 138606135
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032295
9-[3-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142508176
9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121401452

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-diphenylphenyl]carbazole?
The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-diphenylphenyl]carbazole (CID 176765501) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-diphenylphenyl]carbazole.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-diphenylphenyl]carbazole?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-diphenylphenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccccc4)ccc(-c4ccccc4)c3-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-diphenylphenyl]carbazole?
The InChIKey is BGKGCXSQPUWSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4/c1-5-17-31(18-6-1)35-29-30-36(32-19-7-2-8-20-32)42(49-39-27-15-13-25-37(39)38-26-14-16-28-40(38)49)41(35)45-47-43(33-21-9-3-10-22-33)46-44(48-45)34-23-11-4-12-24-34/h1-30H.
What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-diphenylphenyl]carbazole?
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-diphenylphenyl]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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-diphenylphenyl]carbazole is sourced from PubChem (CID 176765501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).