2-chloro-8-(9,9-dimethyl-1-phenylfluoren-3-yl)dibenzofuran

C33H23ClO — CID 167197144

IUPAC2-chloro-8-(9,9-dimethyl-1-phenylfluoren-3-yl)dibenzofuran
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4oc5ccc(Cl)cc5c4c3)cc(-c3ccccc3)c21
InChIInChI=1S/C33H23ClO/c1-33(2)29-11-7-6-10-24(29)28-18-22(17-25(32(28)33)20-8-4-3-5-9-20)21-12-14-30-26(16-21)27-19-23(34)13-15-31(27)35-30/h3-19H,1-2H3
InChIKeyVDLLIILZJQUZPK-UHFFFAOYSA-N
MW471.00 g/mol
LogP9.88
Rot. Bonds2

About 2-chloro-8-(9,9-dimethyl-1-phenylfluoren-3-yl)dibenzofuran

2-chloro-8-(9,9-dimethyl-1-phenylfluoren-3-yl)dibenzofuran (PubChem CID 167197144) has the molecular formula C33H23ClO and a molecular weight of 471.00 g/mol. Its IUPAC name is 2-chloro-8-(9,9-dimethyl-1-phenylfluoren-3-yl)dibenzofuran.

Molecular Properties

Compound Name2-chloro-8-(9,9-dimethyl-1-phenylfluoren-3-yl)dibenzofuran
PubChem CID167197144
Molecular FormulaC33H23ClO
Molecular Weight471.00 g/mol
Exact Mass470.14
IUPAC Name2-chloro-8-(9,9-dimethyl-1-phenylfluoren-3-yl)dibenzofuran
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4oc5ccc(Cl)cc5c4c3)cc(-c3ccccc3)c21
InChIInChI=1S/C33H23ClO/c1-33(2)29-11-7-6-10-24(29)28-18-22(17-25(32(28)33)20-8-4-3-5-9-20)21-12-14-30-26(16-21)27-19-23(34)13-15-31(27)35-30/h3-19H,1-2H3
InChIKeyVDLLIILZJQUZPK-UHFFFAOYSA-N
XLogP9.88
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.00
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-chloro-8-(9,9-dimethyl-1-phenylfluoren-3-yl)dibenzofuran 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-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine
CID 171584543
4-[3-dibenzofuran-2-yl-5-(2-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171584389
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166002481
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166003177
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine
CID 171584636
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
1-(4-chlorophenyl)-9,9-dimethylfluorene
CID 118193752
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 129085281
2-[8-(9,9-dimethylfluoren-1-yl)dibenzofuran-1-yl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166002414
4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171582716
2-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran
CID 164758476
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218029

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(9,9-dimethyl-1-phenylfluoren-3-yl)dibenzofuran?
The IUPAC name of 2-chloro-8-(9,9-dimethyl-1-phenylfluoren-3-yl)dibenzofuran (CID 167197144) is 2-chloro-8-(9,9-dimethyl-1-phenylfluoren-3-yl)dibenzofuran.
What is the SMILES notation for 2-chloro-8-(9,9-dimethyl-1-phenylfluoren-3-yl)dibenzofuran?
The canonical SMILES for 2-chloro-8-(9,9-dimethyl-1-phenylfluoren-3-yl)dibenzofuran is CC1(C)c2ccccc2-c2cc(-c3ccc4oc5ccc(Cl)cc5c4c3)cc(-c3ccccc3)c21.
What is the InChIKey of 2-chloro-8-(9,9-dimethyl-1-phenylfluoren-3-yl)dibenzofuran?
The InChIKey is VDLLIILZJQUZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23ClO/c1-33(2)29-11-7-6-10-24(29)28-18-22(17-25(32(28)33)20-8-4-3-5-9-20)21-12-14-30-26(16-21)27-19-23(34)13-15-31(27)35-30/h3-19H,1-2H3.
What are the key properties of 2-chloro-8-(9,9-dimethyl-1-phenylfluoren-3-yl)dibenzofuran?
2-chloro-8-(9,9-dimethyl-1-phenylfluoren-3-yl)dibenzofuran has a molecular weight of 471.00 g/mol, XLogP of 9.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-(9,9-dimethyl-1-phenylfluoren-3-yl)dibenzofuran is sourced from PubChem (CID 167197144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).