acetylene;ethane;methane;9-[(Z)-pent-3-enyl]-2,9-diphenylfluorene

C37H46 — CID 167484434

IUPACacetylene;ethane;methane;9-[(Z)-pent-3-enyl]-2,9-diphenylfluorene
SMILESC.C.C.C#C.C/C=C\CCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3)cc21.CC
InChIInChI=1S/C30H26.C2H6.C2H2.3CH4/c1-2-3-12-21-30(25-15-8-5-9-16-25)28-18-11-10-17-26(28)27-20-19-24(22-29(27)30)23-13-6-4-7-14-23;2*1-2;;;/h2-11,13-20,22H,12,21H2,1H3;1-2H3;1-2H;3*1H4/b3-2-;;;;;
InChIKeyIIPGKPHGNZIQKP-WYGWCQTDSA-N
MW490.78 g/mol
LogP11.21
Rot. Bonds5

About acetylene;ethane;methane;9-[(Z)-pent-3-enyl]-2,9-diphenylfluorene

acetylene;ethane;methane;9-[(Z)-pent-3-enyl]-2,9-diphenylfluorene (PubChem CID 167484434) has the molecular formula C37H46 and a molecular weight of 490.78 g/mol. Its IUPAC name is acetylene;ethane;methane;9-[(Z)-pent-3-enyl]-2,9-diphenylfluorene.

Molecular Properties

Compound Nameacetylene;ethane;methane;9-[(Z)-pent-3-enyl]-2,9-diphenylfluorene
PubChem CID167484434
Molecular FormulaC37H46
Molecular Weight490.78 g/mol
Exact Mass490.36
IUPAC Nameacetylene;ethane;methane;9-[(Z)-pent-3-enyl]-2,9-diphenylfluorene
SMILESC.C.C.C#C.C/C=C\CCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3)cc21.CC
InChIInChI=1S/C30H26.C2H6.C2H2.3CH4/c1-2-3-12-21-30(25-15-8-5-9-16-25)28-18-11-10-17-26(28)27-20-19-24(22-29(27)30)23-13-6-4-7-14-23;2*1-2;;;/h2-11,13-20,22H,12,21H2,1H3;1-2H3;1-2H;3*1H4/b3-2-;;;;;
InChIKeyIIPGKPHGNZIQKP-WYGWCQTDSA-N
XLogP11.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.78
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,9-difluoro-2-(4-phenylphenyl)fluorene
CID 162564484
9-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-10-[9-(3-phenylphenyl)-9-propylfluoren-2-yl]anthracene
CID 140843551
2-phenyl-9,9-dipropylfluorene
CID 154114384
2-bromo-9-oct-7-enyl-9-phenylfluorene
CID 146352337
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
9-[4-(3,5-diphenylphenyl)phenyl]-10-[9-(2-methylpropyl)-9-(3-phenylphenyl)fluoren-2-yl]anthracene
CID 140843490
2,7-bis(2,5-diethylphenyl)-9-pent-4-enyl-9-phenylfluorene
CID 140798131
2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane
CID 91153599
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-7-hexa-1,4-dien-2-yl-9,9-dimethylfluorene
CID 123148254
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015

Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;methane;9-[(Z)-pent-3-enyl]-2,9-diphenylfluorene?
The IUPAC name of acetylene;ethane;methane;9-[(Z)-pent-3-enyl]-2,9-diphenylfluorene (CID 167484434) is acetylene;ethane;methane;9-[(Z)-pent-3-enyl]-2,9-diphenylfluorene.
What is the SMILES notation for acetylene;ethane;methane;9-[(Z)-pent-3-enyl]-2,9-diphenylfluorene?
The canonical SMILES for acetylene;ethane;methane;9-[(Z)-pent-3-enyl]-2,9-diphenylfluorene is C.C.C.C#C.C/C=C\CCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3)cc21.CC.
What is the InChIKey of acetylene;ethane;methane;9-[(Z)-pent-3-enyl]-2,9-diphenylfluorene?
The InChIKey is IIPGKPHGNZIQKP-WYGWCQTDSA-N. The full InChI is InChI=1S/C30H26.C2H6.C2H2.3CH4/c1-2-3-12-21-30(25-15-8-5-9-16-25)28-18-11-10-17-26(28)27-20-19-24(22-29(27)30)23-13-6-4-7-14-23;2*1-2;;;/h2-11,13-20,22H,12,21H2,1H3;1-2H3;1-2H;3*1H4/b3-2-;;;;;.
What are the key properties of acetylene;ethane;methane;9-[(Z)-pent-3-enyl]-2,9-diphenylfluorene?
acetylene;ethane;methane;9-[(Z)-pent-3-enyl]-2,9-diphenylfluorene has a molecular weight of 490.78 g/mol, XLogP of 11.21, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;methane;9-[(Z)-pent-3-enyl]-2,9-diphenylfluorene is sourced from PubChem (CID 167484434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).