9,9-diphenyl-2-propyl-4a,9a-dihydrofluorene

C28H26 — CID 163685028

IUPAC9,9-diphenyl-2-propyl-4a,9a-dihydrofluorene
SMILESCCCC1=CC2C(C=C1)c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H26/c1-2-11-21-18-19-25-24-16-9-10-17-26(24)28(27(25)20-21,22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-10,12-20,25,27H,2,11H2,1H3
InChIKeyJOCXDPSQUSKFLG-UHFFFAOYSA-N
MW362.52 g/mol
LogP7.03
Rot. Bonds4

About 9,9-diphenyl-2-propyl-4a,9a-dihydrofluorene

9,9-diphenyl-2-propyl-4a,9a-dihydrofluorene (PubChem CID 163685028) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 9,9-diphenyl-2-propyl-4a,9a-dihydrofluorene.

Molecular Properties

Compound Name9,9-diphenyl-2-propyl-4a,9a-dihydrofluorene
PubChem CID163685028
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name9,9-diphenyl-2-propyl-4a,9a-dihydrofluorene
SMILESCCCC1=CC2C(C=C1)c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H26/c1-2-11-21-18-19-25-24-16-9-10-17-26(24)28(27(25)20-21,22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-10,12-20,25,27H,2,11H2,1H3
InChIKeyJOCXDPSQUSKFLG-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(9,9-diphenyl-4a,9a-dihydrofluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167182460
N,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-4a,9a-dihydrofluoren-2-amine
CID 174110881
ethane;4-[9-(4-hydroxyphenyl)-4a,9a-dihydrofluoren-9-yl]phenol;propane
CID 158720104
phenyl-(3-propylcyclopenta-2,4-dien-1-yl)silane
CID 174668521
N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine
CID 146516748
N-[4-[4-ethyl-3-(2-methylphenyl)phenyl]phenyl]-3-(9-phenyl-4a,9a-dihydrofluoren-9-yl)aniline
CID 166714576
N-[4-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 157466743
(3-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane
CID 174668494
11,11-dimethyl-4b,10a-dihydrobenzo[b]fluorene
CID 163424311
3-ethyl-4a,9b-dihydrodibenzofuran
CID 142358862
N-[2-[2-[2-(N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyltriphenylen-2-amine
CID 155010298
2-(9,9-diphenyl-4b,8a-dihydrofluoren-2-yl)-4-(9,9-diphenylfluoren-2-yl)-6-(8,8-diphenyl-5-tricyclo[7.4.1.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaenyl)-1,3,5-triazine
CID 126546621

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-2-propyl-4a,9a-dihydrofluorene?
The IUPAC name of 9,9-diphenyl-2-propyl-4a,9a-dihydrofluorene (CID 163685028) is 9,9-diphenyl-2-propyl-4a,9a-dihydrofluorene.
What is the SMILES notation for 9,9-diphenyl-2-propyl-4a,9a-dihydrofluorene?
The canonical SMILES for 9,9-diphenyl-2-propyl-4a,9a-dihydrofluorene is CCCC1=CC2C(C=C1)c1ccccc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 9,9-diphenyl-2-propyl-4a,9a-dihydrofluorene?
The InChIKey is JOCXDPSQUSKFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-2-11-21-18-19-25-24-16-9-10-17-26(24)28(27(25)20-21,22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-10,12-20,25,27H,2,11H2,1H3.
What are the key properties of 9,9-diphenyl-2-propyl-4a,9a-dihydrofluorene?
9,9-diphenyl-2-propyl-4a,9a-dihydrofluorene has a molecular weight of 362.52 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-2-propyl-4a,9a-dihydrofluorene is sourced from PubChem (CID 163685028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).