9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene

C31H24 — CID 142347056

IUPAC9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene
SMILESC1=CC(C2(c3ccccc3)c3ccccc3-c3c(-c4ccccc4)cccc32)=CCC1
InChIInChI=1S/C31H24/c1-4-13-23(14-5-1)26-20-12-22-29-30(26)27-19-10-11-21-28(27)31(29,24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-2,4-8,10-22H,3,9H2
InChIKeyKSCJAXLVGTWRHP-UHFFFAOYSA-N
MW396.53 g/mol
LogP7.94
Rot. Bonds3

About 9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene

9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene (PubChem CID 142347056) has the molecular formula C31H24 and a molecular weight of 396.53 g/mol. Its IUPAC name is 9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene.

Molecular Properties

Compound Name9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene
PubChem CID142347056
Molecular FormulaC31H24
Molecular Weight396.53 g/mol
Exact Mass396.19
IUPAC Name9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene
SMILESC1=CC(C2(c3ccccc3)c3ccccc3-c3c(-c4ccccc4)cccc32)=CCC1
InChIInChI=1S/C31H24/c1-4-13-23(14-5-1)26-20-12-22-29-30(26)27-19-10-11-21-28(27)31(29,24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-2,4-8,10-22H,3,9H2
InChIKeyKSCJAXLVGTWRHP-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-[4-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)phenoxy]phenyl]-4-[3-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylfluoren-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 134569830
4-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N,N-diphenylaniline
CID 142481023
9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 167297491
9-(3-chlorophenyl)-4,9-diphenylfluorene
CID 176760005
12-cyclohexa-1,5-dien-1-yl-5-(3,5-diphenylphenyl)-12-phenylindeno[1,2-c]carbazole
CID 123468895
N-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166906518
2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 154618868
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158824840
7-[6-(9-cyclohexa-1,5-dien-1-yl-9-phenylfluoren-2-yl)naphthalen-2-yl]-2-phenanthren-2-yl-4-phenylquinoline
CID 145340862
2-(9-cyclohexa-1,5-dien-1-yl-9,10-diphenylacridin-2-yl)-9,9,10-triphenylacridine
CID 70876887
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 59217347

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene?
The IUPAC name of 9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene (CID 142347056) is 9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene.
What is the SMILES notation for 9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene?
The canonical SMILES for 9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene is C1=CC(C2(c3ccccc3)c3ccccc3-c3c(-c4ccccc4)cccc32)=CCC1.
What is the InChIKey of 9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene?
The InChIKey is KSCJAXLVGTWRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24/c1-4-13-23(14-5-1)26-20-12-22-29-30(26)27-19-10-11-21-28(27)31(29,24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-2,4-8,10-22H,3,9H2.
What are the key properties of 9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene?
9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene has a molecular weight of 396.53 g/mol, XLogP of 7.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene is sourced from PubChem (CID 142347056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).