9-(4-bromophenyl)-2,7-dinaphthalen-2-ylfluoren-9-ol

C39H25BrO — CID 59245498

IUPAC9-(4-bromophenyl)-2,7-dinaphthalen-2-ylfluoren-9-ol
SMILESOC1(c2ccc(Br)cc2)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C39H25BrO/c40-34-17-15-33(16-18-34)39(41)37-23-31(29-11-9-25-5-1-3-7-27(25)21-29)13-19-35(37)36-20-14-32(24-38(36)39)30-12-10-26-6-2-4-8-28(26)22-30/h1-24,41H
InChIKeyLIWJVKOKOMSFCY-UHFFFAOYSA-N
MW589.53 g/mol
LogP10.35
Rot. Bonds3

About 9-(4-bromophenyl)-2,7-dinaphthalen-2-ylfluoren-9-ol

9-(4-bromophenyl)-2,7-dinaphthalen-2-ylfluoren-9-ol (PubChem CID 59245498) has the molecular formula C39H25BrO and a molecular weight of 589.53 g/mol. Its IUPAC name is 9-(4-bromophenyl)-2,7-dinaphthalen-2-ylfluoren-9-ol.

Molecular Properties

Compound Name9-(4-bromophenyl)-2,7-dinaphthalen-2-ylfluoren-9-ol
PubChem CID59245498
Molecular FormulaC39H25BrO
Molecular Weight589.53 g/mol
Exact Mass588.11
IUPAC Name9-(4-bromophenyl)-2,7-dinaphthalen-2-ylfluoren-9-ol
SMILESOC1(c2ccc(Br)cc2)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C39H25BrO/c40-34-17-15-33(16-18-34)39(41)37-23-31(29-11-9-25-5-1-3-7-27(25)21-29)13-19-35(37)36-20-14-32(24-38(36)39)30-12-10-26-6-2-4-8-28(26)22-30/h1-24,41H
InChIKeyLIWJVKOKOMSFCY-UHFFFAOYSA-N
XLogP10.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.53
LogP ≤ 510.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)-2,7-dinaphthalen-2-ylfluoren-9-ol?
The IUPAC name of 9-(4-bromophenyl)-2,7-dinaphthalen-2-ylfluoren-9-ol (CID 59245498) is 9-(4-bromophenyl)-2,7-dinaphthalen-2-ylfluoren-9-ol.
What is the SMILES notation for 9-(4-bromophenyl)-2,7-dinaphthalen-2-ylfluoren-9-ol?
The canonical SMILES for 9-(4-bromophenyl)-2,7-dinaphthalen-2-ylfluoren-9-ol is OC1(c2ccc(Br)cc2)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21.
What is the InChIKey of 9-(4-bromophenyl)-2,7-dinaphthalen-2-ylfluoren-9-ol?
The InChIKey is LIWJVKOKOMSFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25BrO/c40-34-17-15-33(16-18-34)39(41)37-23-31(29-11-9-25-5-1-3-7-27(25)21-29)13-19-35(37)36-20-14-32(24-38(36)39)30-12-10-26-6-2-4-8-28(26)22-30/h1-24,41H.
What are the key properties of 9-(4-bromophenyl)-2,7-dinaphthalen-2-ylfluoren-9-ol?
9-(4-bromophenyl)-2,7-dinaphthalen-2-ylfluoren-9-ol has a molecular weight of 589.53 g/mol, XLogP of 10.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)-2,7-dinaphthalen-2-ylfluoren-9-ol is sourced from PubChem (CID 59245498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).