4-bromo-2-naphthalen-1-yl-9H-fluorene

C23H15Br — CID 175318573

IUPAC4-bromo-2-naphthalen-1-yl-9H-fluorene
SMILESBrc1cc(-c2cccc3ccccc23)cc2c1-c1ccccc1C2
InChIInChI=1S/C23H15Br/c24-22-14-17(20-11-5-8-15-6-1-3-9-19(15)20)13-18-12-16-7-2-4-10-21(16)23(18)22/h1-11,13-14H,12H2
InChIKeyZWTYADFKLGWFSE-UHFFFAOYSA-N
MW371.28 g/mol
LogP6.84
Rot. Bonds1

About 4-bromo-2-naphthalen-1-yl-9H-fluorene

4-bromo-2-naphthalen-1-yl-9H-fluorene (PubChem CID 175318573) has the molecular formula C23H15Br and a molecular weight of 371.28 g/mol. Its IUPAC name is 4-bromo-2-naphthalen-1-yl-9H-fluorene.

Molecular Properties

Compound Name4-bromo-2-naphthalen-1-yl-9H-fluorene
PubChem CID175318573
Molecular FormulaC23H15Br
Molecular Weight371.28 g/mol
Exact Mass370.04
IUPAC Name4-bromo-2-naphthalen-1-yl-9H-fluorene
SMILESBrc1cc(-c2cccc3ccccc23)cc2c1-c1ccccc1C2
InChIInChI=1S/C23H15Br/c24-22-14-17(20-11-5-8-15-6-1-3-9-19(15)20)13-18-12-16-7-2-4-10-21(16)23(18)22/h1-11,13-14H,12H2
InChIKeyZWTYADFKLGWFSE-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.28
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,11,17-trinaphthalen-1-yl-8,14-dioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 71211364
1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene
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1-(3-bromo-5-phenylphenyl)naphthalene
CID 67301635
1-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene
CID 14747501
5-naphthalen-1-yl-11H-benzo[a]fluorene
CID 161363694
1-(3-bromo-5-methylphenyl)naphthalene
CID 155180457
4-ethenyl-2-naphthalen-1-yl-3-[(Z)-prop-1-enyl]-9H-fluorene
CID 144938913
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
2-bromo-1-naphthalen-1-ylnaphthalene
CID 620109
9-[3-(9H-fluoren-1-yl)phenyl]-10-naphthalen-1-ylanthracene
CID 143848200
1-(4-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene
CID 173093718
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-naphthalen-1-yl-9H-fluorene?
The IUPAC name of 4-bromo-2-naphthalen-1-yl-9H-fluorene (CID 175318573) is 4-bromo-2-naphthalen-1-yl-9H-fluorene.
What is the SMILES notation for 4-bromo-2-naphthalen-1-yl-9H-fluorene?
The canonical SMILES for 4-bromo-2-naphthalen-1-yl-9H-fluorene is Brc1cc(-c2cccc3ccccc23)cc2c1-c1ccccc1C2.
What is the InChIKey of 4-bromo-2-naphthalen-1-yl-9H-fluorene?
The InChIKey is ZWTYADFKLGWFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Br/c24-22-14-17(20-11-5-8-15-6-1-3-9-19(15)20)13-18-12-16-7-2-4-10-21(16)23(18)22/h1-11,13-14H,12H2.
What are the key properties of 4-bromo-2-naphthalen-1-yl-9H-fluorene?
4-bromo-2-naphthalen-1-yl-9H-fluorene has a molecular weight of 371.28 g/mol, XLogP of 6.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-naphthalen-1-yl-9H-fluorene is sourced from PubChem (CID 175318573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).