9-(4-bromophenyl)-2,7-dihexyl-1-phenyl-9H-fluorene

C37H41Br — CID 151191074

IUPAC9-(4-bromophenyl)-2,7-dihexyl-1-phenyl-9H-fluorene
SMILESCCCCCCc1ccc2c(c1)C(c1ccc(Br)cc1)c1c-2ccc(CCCCCC)c1-c1ccccc1
InChIInChI=1S/C37H41Br/c1-3-5-7-10-14-27-18-24-32-33-25-21-29(17-11-8-6-4-2)35(28-15-12-9-13-16-28)37(33)36(34(32)26-27)30-19-22-31(38)23-20-30/h9,12-13,15-16,18-26,36H,3-8,10-11,14,17H2,1-2H3
InChIKeyNGIABORAULFLKT-UHFFFAOYSA-N
MW565.64 g/mol
LogP11.52
Rot. Bonds12

About 9-(4-bromophenyl)-2,7-dihexyl-1-phenyl-9H-fluorene

9-(4-bromophenyl)-2,7-dihexyl-1-phenyl-9H-fluorene (PubChem CID 151191074) has the molecular formula C37H41Br and a molecular weight of 565.64 g/mol. Its IUPAC name is 9-(4-bromophenyl)-2,7-dihexyl-1-phenyl-9H-fluorene.

Molecular Properties

Compound Name9-(4-bromophenyl)-2,7-dihexyl-1-phenyl-9H-fluorene
PubChem CID151191074
Molecular FormulaC37H41Br
Molecular Weight565.64 g/mol
Exact Mass564.24
IUPAC Name9-(4-bromophenyl)-2,7-dihexyl-1-phenyl-9H-fluorene
SMILESCCCCCCc1ccc2c(c1)C(c1ccc(Br)cc1)c1c-2ccc(CCCCCC)c1-c1ccccc1
InChIInChI=1S/C37H41Br/c1-3-5-7-10-14-27-18-24-32-33-25-21-29(17-11-8-6-4-2)35(28-15-12-9-13-16-28)37(33)36(34(32)26-27)30-19-22-31(38)23-20-30/h9,12-13,15-16,18-26,36H,3-8,10-11,14,17H2,1-2H3
InChIKeyNGIABORAULFLKT-UHFFFAOYSA-N
XLogP11.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.64
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 141240736
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
1-bromo-4-tetradecylbenzene
CID 71337489
1-hexyl-3-methyl-4-pentyl-2-phenylbenzene
CID 173075970
2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]-3-phenylbenzene
CID 19007996
5,19-bis(4-decylphenyl)-2,16-bis(4-octoxyphenyl)heptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1,3(15),4(12),6,8,10,13,16,18(26),20,22,24,27-tridecaene
CID 20754174
1-hexyl-2,3-diphenylbenzene
CID 54065322
2-(4-methylcyclohexyl)-4-pentyl-1-phenylbenzene
CID 175040539
2-chloro-4-pentyl-1-phenylbenzene
CID 139836929
4-bromo-1-[4-bromo-2-(4-hexylphenyl)phenyl]-2-(4-hexylphenyl)benzene
CID 129157265

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)-2,7-dihexyl-1-phenyl-9H-fluorene?
The IUPAC name of 9-(4-bromophenyl)-2,7-dihexyl-1-phenyl-9H-fluorene (CID 151191074) is 9-(4-bromophenyl)-2,7-dihexyl-1-phenyl-9H-fluorene.
What is the SMILES notation for 9-(4-bromophenyl)-2,7-dihexyl-1-phenyl-9H-fluorene?
The canonical SMILES for 9-(4-bromophenyl)-2,7-dihexyl-1-phenyl-9H-fluorene is CCCCCCc1ccc2c(c1)C(c1ccc(Br)cc1)c1c-2ccc(CCCCCC)c1-c1ccccc1.
What is the InChIKey of 9-(4-bromophenyl)-2,7-dihexyl-1-phenyl-9H-fluorene?
The InChIKey is NGIABORAULFLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41Br/c1-3-5-7-10-14-27-18-24-32-33-25-21-29(17-11-8-6-4-2)35(28-15-12-9-13-16-28)37(33)36(34(32)26-27)30-19-22-31(38)23-20-30/h9,12-13,15-16,18-26,36H,3-8,10-11,14,17H2,1-2H3.
What are the key properties of 9-(4-bromophenyl)-2,7-dihexyl-1-phenyl-9H-fluorene?
9-(4-bromophenyl)-2,7-dihexyl-1-phenyl-9H-fluorene has a molecular weight of 565.64 g/mol, XLogP of 11.52, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)-2,7-dihexyl-1-phenyl-9H-fluorene is sourced from PubChem (CID 151191074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).