4-[3-(cyclohexa-1,5-dien-1-ylmethyl)phenyl]-9-methyl-9-phenylfluorene

C33H28 — CID 142399123

IUPAC4-[3-(cyclohexa-1,5-dien-1-ylmethyl)phenyl]-9-methyl-9-phenylfluorene
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3cccc(CC4=CCCC=C4)c3)cccc21
InChIInChI=1S/C33H28/c1-33(27-16-6-3-7-17-27)30-20-9-8-18-29(30)32-28(19-11-21-31(32)33)26-15-10-14-25(23-26)22-24-12-4-2-5-13-24/h3-4,6-21,23H,2,5,22H2,1H3
InChIKeyYSSFMASQMISPDE-UHFFFAOYSA-N
MW424.59 g/mol
LogP8.51
Rot. Bonds4

About 4-[3-(cyclohexa-1,5-dien-1-ylmethyl)phenyl]-9-methyl-9-phenylfluorene

4-[3-(cyclohexa-1,5-dien-1-ylmethyl)phenyl]-9-methyl-9-phenylfluorene (PubChem CID 142399123) has the molecular formula C33H28 and a molecular weight of 424.59 g/mol. Its IUPAC name is 4-[3-(cyclohexa-1,5-dien-1-ylmethyl)phenyl]-9-methyl-9-phenylfluorene.

Molecular Properties

Compound Name4-[3-(cyclohexa-1,5-dien-1-ylmethyl)phenyl]-9-methyl-9-phenylfluorene
PubChem CID142399123
Molecular FormulaC33H28
Molecular Weight424.59 g/mol
Exact Mass424.22
IUPAC Name4-[3-(cyclohexa-1,5-dien-1-ylmethyl)phenyl]-9-methyl-9-phenylfluorene
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3cccc(CC4=CCCC=C4)c3)cccc21
InChIInChI=1S/C33H28/c1-33(27-16-6-3-7-17-27)30-20-9-8-18-29(30)32-28(19-11-21-31(32)33)26-15-10-14-25(23-26)22-24-12-4-2-5-13-24/h3-4,6-21,23H,2,5,22H2,1H3
InChIKeyYSSFMASQMISPDE-UHFFFAOYSA-N
XLogP8.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclohexa-1,5-dien-1-ylmethylbenzene;ethane
CID 143782404
9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene
CID 142347056
2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 123496418
2-[(9R)-9-methyl-9-phenylfluoren-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 125479874
9-methyl-9-phenylfluoren-4-ol
CID 139484121
4-[3-(9-methyl-4,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 155765228
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine
CID 167219072
4-(9-methyl-9-phenylfluoren-4-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170015871
1-(cyclohexa-1,5-dien-1-ylmethyl)-3-phenyl-5-[3-[3-(1-phenylethyl)phenyl]phenyl]benzene
CID 142551763
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 169019826
N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020514

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclohexa-1,5-dien-1-ylmethyl)phenyl]-9-methyl-9-phenylfluorene?
The IUPAC name of 4-[3-(cyclohexa-1,5-dien-1-ylmethyl)phenyl]-9-methyl-9-phenylfluorene (CID 142399123) is 4-[3-(cyclohexa-1,5-dien-1-ylmethyl)phenyl]-9-methyl-9-phenylfluorene.
What is the SMILES notation for 4-[3-(cyclohexa-1,5-dien-1-ylmethyl)phenyl]-9-methyl-9-phenylfluorene?
The canonical SMILES for 4-[3-(cyclohexa-1,5-dien-1-ylmethyl)phenyl]-9-methyl-9-phenylfluorene is CC1(c2ccccc2)c2ccccc2-c2c(-c3cccc(CC4=CCCC=C4)c3)cccc21.
What is the InChIKey of 4-[3-(cyclohexa-1,5-dien-1-ylmethyl)phenyl]-9-methyl-9-phenylfluorene?
The InChIKey is YSSFMASQMISPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28/c1-33(27-16-6-3-7-17-27)30-20-9-8-18-29(30)32-28(19-11-21-31(32)33)26-15-10-14-25(23-26)22-24-12-4-2-5-13-24/h3-4,6-21,23H,2,5,22H2,1H3.
What are the key properties of 4-[3-(cyclohexa-1,5-dien-1-ylmethyl)phenyl]-9-methyl-9-phenylfluorene?
4-[3-(cyclohexa-1,5-dien-1-ylmethyl)phenyl]-9-methyl-9-phenylfluorene has a molecular weight of 424.59 g/mol, XLogP of 8.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclohexa-1,5-dien-1-ylmethyl)phenyl]-9-methyl-9-phenylfluorene is sourced from PubChem (CID 142399123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).