3-[9-(2-phenylcyclohexa-1,3-dien-5-yn-1-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole

C48H30N2 — CID 167246536

IUPAC3-[9-(2-phenylcyclohexa-1,3-dien-5-yn-1-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccccc2)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4ccccc4)ccc32)c#1
InChIInChI=1S/C48H30N2/c1-3-15-33(16-4-1)37-19-7-11-23-43(37)49-45-25-13-9-21-39(45)41-31-35(27-29-47(41)49)36-28-30-48-42(32-36)40-22-10-14-26-46(40)50(48)44-24-12-8-20-38(44)34-17-5-2-6-18-34/h1-11,13-23,25-32H
InChIKeyDYPUFUMLRPZGTH-UHFFFAOYSA-N
MW634.78 g/mol
LogP12.48
Rot. Bonds5

About 3-[9-(2-phenylcyclohexa-1,3-dien-5-yn-1-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole

3-[9-(2-phenylcyclohexa-1,3-dien-5-yn-1-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole (PubChem CID 167246536) has the molecular formula C48H30N2 and a molecular weight of 634.78 g/mol. Its IUPAC name is 3-[9-(2-phenylcyclohexa-1,3-dien-5-yn-1-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(2-phenylcyclohexa-1,3-dien-5-yn-1-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
PubChem CID167246536
Molecular FormulaC48H30N2
Molecular Weight634.78 g/mol
Exact Mass634.24
IUPAC Name3-[9-(2-phenylcyclohexa-1,3-dien-5-yn-1-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccccc2)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4ccccc4)ccc32)c#1
InChIInChI=1S/C48H30N2/c1-3-15-33(16-4-1)37-19-7-11-23-43(37)49-45-25-13-9-21-39(45)41-31-35(27-29-47(41)49)36-28-30-48-42(32-36)40-22-10-14-26-46(40)50(48)44-24-12-8-20-38(44)34-17-5-2-6-18-34/h1-11,13-23,25-32H
InChIKeyDYPUFUMLRPZGTH-UHFFFAOYSA-N
XLogP12.48
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.78
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[9-(2-phenylcyclohexa-1,3-dien-5-yn-1-yl)carbazol-3-yl]-9-(2-phenylphenyl)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

4-[9-(2-phenylcyclohexa-1,3-dien-5-yn-1-yl)carbazol-4-yl]-9-(2-phenylphenyl)carbazole
CID 170093407
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590699
3-(4-chlorophenyl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 167454727
3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 170244502
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 146226350
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590420
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 160721825

Frequently Asked Questions

What is the IUPAC name of 3-[9-(2-phenylcyclohexa-1,3-dien-5-yn-1-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole?
The IUPAC name of 3-[9-(2-phenylcyclohexa-1,3-dien-5-yn-1-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole (CID 167246536) is 3-[9-(2-phenylcyclohexa-1,3-dien-5-yn-1-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-(2-phenylcyclohexa-1,3-dien-5-yn-1-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-(2-phenylcyclohexa-1,3-dien-5-yn-1-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole is c1ccc(-c2ccccc2)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4ccccc4)ccc32)c#1.
What is the InChIKey of 3-[9-(2-phenylcyclohexa-1,3-dien-5-yn-1-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole?
The InChIKey is DYPUFUMLRPZGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2/c1-3-15-33(16-4-1)37-19-7-11-23-43(37)49-45-25-13-9-21-39(45)41-31-35(27-29-47(41)49)36-28-30-48-42(32-36)40-22-10-14-26-46(40)50(48)44-24-12-8-20-38(44)34-17-5-2-6-18-34/h1-11,13-23,25-32H.
What are the key properties of 3-[9-(2-phenylcyclohexa-1,3-dien-5-yn-1-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole?
3-[9-(2-phenylcyclohexa-1,3-dien-5-yn-1-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole has a molecular weight of 634.78 g/mol, XLogP of 12.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2-phenylcyclohexa-1,3-dien-5-yn-1-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 167246536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).