2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole

C47H31N3O — CID 90129204

IUPAC2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5ccc(-c6ccc7oc8ccccc8c7c6)cc54)nc4ccccc34)cc21
InChIInChI=1S/C47H31N3O/c1-47(2)38-15-7-3-11-31(38)32-22-20-30(26-39(32)47)45-36-14-4-8-16-40(36)48-46(49-45)50-41-17-9-5-12-33(41)34-23-19-29(27-42(34)50)28-21-24-44-37(25-28)35-13-6-10-18-43(35)51-44/h3-27H,1-2H3
InChIKeyDLQXCYJOPWAMIT-UHFFFAOYSA-N
MW653.79 g/mol
LogP12.27
Rot. Bonds3

About 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole

2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole (PubChem CID 90129204) has the molecular formula C47H31N3O and a molecular weight of 653.79 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole
PubChem CID90129204
Molecular FormulaC47H31N3O
Molecular Weight653.79 g/mol
Exact Mass653.25
IUPAC Name2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5ccc(-c6ccc7oc8ccccc8c7c6)cc54)nc4ccccc34)cc21
InChIInChI=1S/C47H31N3O/c1-47(2)38-15-7-3-11-31(38)32-22-20-30(26-39(32)47)45-36-14-4-8-16-40(36)48-46(49-45)50-41-17-9-5-12-33(41)34-23-19-29(27-42(34)50)28-21-24-44-37(25-28)35-13-6-10-18-43(35)51-44/h3-27H,1-2H3
InChIKeyDLQXCYJOPWAMIT-UHFFFAOYSA-N
XLogP12.27
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.79
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole?
The IUPAC name of 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole (CID 90129204) is 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole.
What is the SMILES notation for 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole?
The canonical SMILES for 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5ccc(-c6ccc7oc8ccccc8c7c6)cc54)nc4ccccc34)cc21.
What is the InChIKey of 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole?
The InChIKey is DLQXCYJOPWAMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O/c1-47(2)38-15-7-3-11-31(38)32-22-20-30(26-39(32)47)45-36-14-4-8-16-40(36)48-46(49-45)50-41-17-9-5-12-33(41)34-23-19-29(27-42(34)50)28-21-24-44-37(25-28)35-13-6-10-18-43(35)51-44/h3-27H,1-2H3.
What are the key properties of 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole?
2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole has a molecular weight of 653.79 g/mol, XLogP of 12.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole is sourced from PubChem (CID 90129204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).