9-chloro-11-(2-naphthalen-2-ylphenyl)benzo[a]fluoren-11-ol

C33H21ClO — CID 134216053

IUPAC9-chloro-11-(2-naphthalen-2-ylphenyl)benzo[a]fluoren-11-ol
SMILESOC1(c2ccccc2-c2ccc3ccccc3c2)c2cc(Cl)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C33H21ClO/c34-25-16-18-28-29-17-15-22-8-3-4-11-27(22)32(29)33(35,31(28)20-25)30-12-6-5-10-26(30)24-14-13-21-7-1-2-9-23(21)19-24/h1-20,35H
InChIKeyLULHWQROELHBEI-UHFFFAOYSA-N
MW468.98 g/mol
LogP8.58
Rot. Bonds2

About 9-chloro-11-(2-naphthalen-2-ylphenyl)benzo[a]fluoren-11-ol

9-chloro-11-(2-naphthalen-2-ylphenyl)benzo[a]fluoren-11-ol (PubChem CID 134216053) has the molecular formula C33H21ClO and a molecular weight of 468.98 g/mol. Its IUPAC name is 9-chloro-11-(2-naphthalen-2-ylphenyl)benzo[a]fluoren-11-ol.

Molecular Properties

Compound Name9-chloro-11-(2-naphthalen-2-ylphenyl)benzo[a]fluoren-11-ol
PubChem CID134216053
Molecular FormulaC33H21ClO
Molecular Weight468.98 g/mol
Exact Mass468.13
IUPAC Name9-chloro-11-(2-naphthalen-2-ylphenyl)benzo[a]fluoren-11-ol
SMILESOC1(c2ccccc2-c2ccc3ccccc3c2)c2cc(Cl)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C33H21ClO/c34-25-16-18-28-29-17-15-22-8-3-4-11-27(22)32(29)33(35,31(28)20-25)30-12-6-5-10-26(30)24-14-13-21-7-1-2-9-23(21)19-24/h1-20,35H
InChIKeyLULHWQROELHBEI-UHFFFAOYSA-N
XLogP8.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.98
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-11-(2-phenylphenyl)benzo[b]fluoren-11-ol
CID 134194053
9-anthracen-9-ylfluoren-9-ol
CID 72942304
3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034437
9-[2-(4-chlorophenyl)phenyl]-2,7-bis(3-phenylphenyl)fluoren-9-ol
CID 155407363
2-chlorospiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144854
11,11-dimethyl-9-naphthalen-2-ylbenzo[a]fluorene
CID 144938907
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
2-[2-[4-(4-chlorophenyl)phenyl]phenyl]naphthalene
CID 178067173
1-(6-chloronaphthalen-2-yl)-4-phenylnaphthalene
CID 164745827
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
3-[4-chloro-2-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]dibenzofuran
CID 169040050

Frequently Asked Questions

What is the IUPAC name of 9-chloro-11-(2-naphthalen-2-ylphenyl)benzo[a]fluoren-11-ol?
The IUPAC name of 9-chloro-11-(2-naphthalen-2-ylphenyl)benzo[a]fluoren-11-ol (CID 134216053) is 9-chloro-11-(2-naphthalen-2-ylphenyl)benzo[a]fluoren-11-ol.
What is the SMILES notation for 9-chloro-11-(2-naphthalen-2-ylphenyl)benzo[a]fluoren-11-ol?
The canonical SMILES for 9-chloro-11-(2-naphthalen-2-ylphenyl)benzo[a]fluoren-11-ol is OC1(c2ccccc2-c2ccc3ccccc3c2)c2cc(Cl)ccc2-c2ccc3ccccc3c21.
What is the InChIKey of 9-chloro-11-(2-naphthalen-2-ylphenyl)benzo[a]fluoren-11-ol?
The InChIKey is LULHWQROELHBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21ClO/c34-25-16-18-28-29-17-15-22-8-3-4-11-27(22)32(29)33(35,31(28)20-25)30-12-6-5-10-26(30)24-14-13-21-7-1-2-9-23(21)19-24/h1-20,35H.
What are the key properties of 9-chloro-11-(2-naphthalen-2-ylphenyl)benzo[a]fluoren-11-ol?
9-chloro-11-(2-naphthalen-2-ylphenyl)benzo[a]fluoren-11-ol has a molecular weight of 468.98 g/mol, XLogP of 8.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-11-(2-naphthalen-2-ylphenyl)benzo[a]fluoren-11-ol is sourced from PubChem (CID 134216053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).