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

C63H45N5 — CID 139455669

IUPAC2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(2-phenylphenyl)-1,2-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole
SMILESC1=C(C2=Cc3c(n(-c4ccccc4-c4ccccc4)c4ccccc34)CC2)CCC(n2c3ccccc3c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc32)=C1
InChIInChI=1S/C63H45N5/c1-4-17-43(18-5-1)51-25-10-13-28-56(51)68-58-30-15-12-27-53(58)55-40-47(34-38-59(55)68)42-31-35-50(36-32-42)67-57-29-14-11-26-52(57)54-37-33-48(41-60(54)67)46-23-16-24-49(39-46)63-65-61(44-19-6-2-7-20-44)64-62(66-63)45-21-8-3-9-22-45/h1-31,33,35,37,39-41H,32,34,36,38H2
InChIKeyPWPBHJUWSDYUKN-UHFFFAOYSA-N
MW872.09 g/mol
LogP15.85
Rot. Bonds8

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

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(2-phenylphenyl)-1,2-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole (PubChem CID 139455669) has the molecular formula C63H45N5 and a molecular weight of 872.09 g/mol. Its IUPAC name is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(2-phenylphenyl)-1,2-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole.

Molecular Properties

Compound Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(2-phenylphenyl)-1,2-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole
PubChem CID139455669
Molecular FormulaC63H45N5
Molecular Weight872.09 g/mol
Exact Mass871.37
IUPAC Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(2-phenylphenyl)-1,2-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole
SMILESC1=C(C2=Cc3c(n(-c4ccccc4-c4ccccc4)c4ccccc34)CC2)CCC(n2c3ccccc3c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc32)=C1
InChIInChI=1S/C63H45N5/c1-4-17-43(18-5-1)51-25-10-13-28-56(51)68-58-30-15-12-27-53(58)55-40-47(34-38-59(55)68)42-31-35-50(36-32-42)67-57-29-14-11-26-52(57)54-37-33-48(41-60(54)67)46-23-16-24-49(39-46)63-65-61(44-19-6-2-7-20-44)64-62(66-63)45-21-8-3-9-22-45/h1-31,33,35,37,39-41H,32,34,36,38H2
InChIKeyPWPBHJUWSDYUKN-UHFFFAOYSA-N
XLogP15.85
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.09
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(2-phenylphenyl)-1,2-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole with MolForge

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

Launch Full Analysis

Related Compounds

2-phenyl-9-[2-phenyl-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170539049
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole
CID 170539148
9-[2-[4-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 139303288
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 175627106
9-[4-[4-[3-[2-(1,2-dihydrocarbazol-9-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 154971962
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032295
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(2-phenylphenyl)phenyl]carbazole
CID 170539058
9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 168801599
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303789
9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658510
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(2-phenylphenyl)-1,2-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole?
The IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(2-phenylphenyl)-1,2-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole (CID 139455669) is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(2-phenylphenyl)-1,2-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole.
What is the SMILES notation for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(2-phenylphenyl)-1,2-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole?
The canonical SMILES for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(2-phenylphenyl)-1,2-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole is C1=C(C2=Cc3c(n(-c4ccccc4-c4ccccc4)c4ccccc34)CC2)CCC(n2c3ccccc3c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc32)=C1.
What is the InChIKey of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(2-phenylphenyl)-1,2-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole?
The InChIKey is PWPBHJUWSDYUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N5/c1-4-17-43(18-5-1)51-25-10-13-28-56(51)68-58-30-15-12-27-53(58)55-40-47(34-38-59(55)68)42-31-35-50(36-32-42)67-57-29-14-11-26-52(57)54-37-33-48(41-60(54)67)46-23-16-24-49(39-46)63-65-61(44-19-6-2-7-20-44)64-62(66-63)45-21-8-3-9-22-45/h1-31,33,35,37,39-41H,32,34,36,38H2.
What are the key properties of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(2-phenylphenyl)-1,2-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole?
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(2-phenylphenyl)-1,2-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole has a molecular weight of 872.09 g/mol, XLogP of 15.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(2-phenylphenyl)-1,2-dihydrocarbazol-3-yl]cyclohexa-1,3-dien-1-yl]carbazole is sourced from PubChem (CID 139455669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).