3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole

C50H31FN4 — CID 90129289

IUPAC3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
SMILESFc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)cc32)cc1
InChIInChI=1S/C50H31FN4/c51-36-22-26-38(27-23-36)55-45-16-8-5-12-39(45)41-28-20-35(31-48(41)55)34-21-29-47-43(30-34)40-13-6-9-17-46(40)54(47)37-24-18-33(19-25-37)50-52-44-15-7-4-14-42(44)49(53-50)32-10-2-1-3-11-32/h1-31H
InChIKeySAKGPRBJJJKINJ-UHFFFAOYSA-N
MW706.82 g/mol
LogP12.96
Rot. Bonds5

About 3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole

3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole (PubChem CID 90129289) has the molecular formula C50H31FN4 and a molecular weight of 706.82 g/mol. Its IUPAC name is 3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
PubChem CID90129289
Molecular FormulaC50H31FN4
Molecular Weight706.82 g/mol
Exact Mass706.25
IUPAC Name3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
SMILESFc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)cc32)cc1
InChIInChI=1S/C50H31FN4/c51-36-22-26-38(27-23-36)55-45-16-8-5-12-39(45)41-28-20-35(31-48(41)55)34-21-29-47-43(30-34)40-13-6-9-17-46(40)54(47)37-24-18-33(19-25-37)50-52-44-15-7-4-14-42(44)49(53-50)32-10-2-1-3-11-32/h1-31H
InChIKeySAKGPRBJJJKINJ-UHFFFAOYSA-N
XLogP12.96
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.82
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-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 3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The IUPAC name of 3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole (CID 90129289) is 3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole is Fc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)cc32)cc1.
What is the InChIKey of 3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The InChIKey is SAKGPRBJJJKINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31FN4/c51-36-22-26-38(27-23-36)55-45-16-8-5-12-39(45)41-28-20-35(31-48(41)55)34-21-29-47-43(30-34)40-13-6-9-17-46(40)54(47)37-24-18-33(19-25-37)50-52-44-15-7-4-14-42(44)49(53-50)32-10-2-1-3-11-32/h1-31H.
What are the key properties of 3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole has a molecular weight of 706.82 g/mol, XLogP of 12.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-fluorophenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole is sourced from PubChem (CID 90129289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).