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

C45H29N5 — CID 58121746

IUPAC9-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccccc43)nc(-c3ccccc3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C45H29N5/c1-2-16-30(17-3-1)43-46-44(35-22-8-14-28-41(35)49-37-24-10-4-18-31(37)32-19-5-11-25-38(32)49)48-45(47-43)36-23-9-15-29-42(36)50-39-26-12-6-20-33(39)34-21-7-13-27-40(34)50/h1-29H
InChIKeyPIOYHJWODAEZNF-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.07
Rot. Bonds5

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

9-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 58121746) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 9-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID58121746
Molecular FormulaC45H29N5
Molecular Weight639.76 g/mol
Exact Mass639.24
IUPAC Name9-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccccc43)nc(-c3ccccc3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C45H29N5/c1-2-16-30(17-3-1)43-46-44(35-22-8-14-28-41(35)49-37-24-10-4-18-31(37)32-19-5-11-25-38(32)49)48-45(47-43)36-23-9-15-29-42(36)50-39-26-12-6-20-33(39)34-21-7-13-27-40(34)50/h1-29H
InChIKeyPIOYHJWODAEZNF-UHFFFAOYSA-N
XLogP11.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 58121746) is 9-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccccc43)nc(-c3ccccc3-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is PIOYHJWODAEZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-2-16-30(17-3-1)43-46-44(35-22-8-14-28-41(35)49-37-24-10-4-18-31(37)32-19-5-11-25-38(32)49)48-45(47-43)36-23-9-15-29-42(36)50-39-26-12-6-20-33(39)34-21-7-13-27-40(34)50/h1-29H.
What are the key properties of 9-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 639.76 g/mol, XLogP of 11.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 58121746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).