1-(6-chlorocyclohexa-1,3-dien-1-yl)-8-phenyl-9H-fluorene

C25H19Cl — CID 174251617

IUPAC1-(6-chlorocyclohexa-1,3-dien-1-yl)-8-phenyl-9H-fluorene
SMILESClC1CC=CC=C1c1cccc2c1Cc1c(-c3ccccc3)cccc1-2
InChIInChI=1S/C25H19Cl/c26-25-15-5-4-10-22(25)21-14-7-13-20-19-12-6-11-18(23(19)16-24(20)21)17-8-2-1-3-9-17/h1-14,25H,15-16H2
InChIKeyQMPMYKHNKOQYHB-UHFFFAOYSA-N
MW354.88 g/mol
LogP6.88
Rot. Bonds2

About 1-(6-chlorocyclohexa-1,3-dien-1-yl)-8-phenyl-9H-fluorene

1-(6-chlorocyclohexa-1,3-dien-1-yl)-8-phenyl-9H-fluorene (PubChem CID 174251617) has the molecular formula C25H19Cl and a molecular weight of 354.88 g/mol. Its IUPAC name is 1-(6-chlorocyclohexa-1,3-dien-1-yl)-8-phenyl-9H-fluorene.

Molecular Properties

Compound Name1-(6-chlorocyclohexa-1,3-dien-1-yl)-8-phenyl-9H-fluorene
PubChem CID174251617
Molecular FormulaC25H19Cl
Molecular Weight354.88 g/mol
Exact Mass354.12
IUPAC Name1-(6-chlorocyclohexa-1,3-dien-1-yl)-8-phenyl-9H-fluorene
SMILESClC1CC=CC=C1c1cccc2c1Cc1c(-c3ccccc3)cccc1-2
InChIInChI=1S/C25H19Cl/c26-25-15-5-4-10-22(25)21-14-7-13-20-19-12-6-11-18(23(19)16-24(20)21)17-8-2-1-3-9-17/h1-14,25H,15-16H2
InChIKeyQMPMYKHNKOQYHB-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.88
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane
CID 162159408
2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134509781
methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 159922671
2,4-diphenyl-6-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 158972652
4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine
CID 138646102
dibenzofuran;1-phenyl-9H-fluorene
CID 175545610
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine
CID 145237182
N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline
CID 129042279
8-methyl-6-phenyl-4,4a-dihydrodibenzofuran
CID 121420675
1,3,6,8-tetraphenyl-9H-fluorene
CID 150022420
[6-(2-cyclopropylethynyl)cyclohexa-1,3-dien-1-yl]benzene
CID 135075392

Frequently Asked Questions

What is the IUPAC name of 1-(6-chlorocyclohexa-1,3-dien-1-yl)-8-phenyl-9H-fluorene?
The IUPAC name of 1-(6-chlorocyclohexa-1,3-dien-1-yl)-8-phenyl-9H-fluorene (CID 174251617) is 1-(6-chlorocyclohexa-1,3-dien-1-yl)-8-phenyl-9H-fluorene.
What is the SMILES notation for 1-(6-chlorocyclohexa-1,3-dien-1-yl)-8-phenyl-9H-fluorene?
The canonical SMILES for 1-(6-chlorocyclohexa-1,3-dien-1-yl)-8-phenyl-9H-fluorene is ClC1CC=CC=C1c1cccc2c1Cc1c(-c3ccccc3)cccc1-2.
What is the InChIKey of 1-(6-chlorocyclohexa-1,3-dien-1-yl)-8-phenyl-9H-fluorene?
The InChIKey is QMPMYKHNKOQYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl/c26-25-15-5-4-10-22(25)21-14-7-13-20-19-12-6-11-18(23(19)16-24(20)21)17-8-2-1-3-9-17/h1-14,25H,15-16H2.
What are the key properties of 1-(6-chlorocyclohexa-1,3-dien-1-yl)-8-phenyl-9H-fluorene?
1-(6-chlorocyclohexa-1,3-dien-1-yl)-8-phenyl-9H-fluorene has a molecular weight of 354.88 g/mol, XLogP of 6.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chlorocyclohexa-1,3-dien-1-yl)-8-phenyl-9H-fluorene is sourced from PubChem (CID 174251617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).