ethane;2-methylbutane;9-[(E)-2-naphthalen-2-ylprop-1-enyl]-1H-fluorene

C35H44 — CID 143688293

IUPACethane;2-methylbutane;9-[(E)-2-naphthalen-2-ylprop-1-enyl]-1H-fluorene
SMILESC/C(=C\C1=C2CC=CC=C2c2ccccc21)c1ccc2ccccc2c1.CC.CC.CCC(C)C
InChIInChI=1S/C26H20.C5H12.2C2H6/c1-18(20-15-14-19-8-2-3-9-21(19)17-20)16-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26;1-4-5(2)3;2*1-2/h2-12,14-17H,13H2,1H3;5H,4H2,1-3H3;2*1-2H3/b18-16+;;;
InChIKeyTVXGYGCKFIWMQU-OFBWAKGQSA-N
MW464.74 g/mol
LogP11.16
Rot. Bonds3

About ethane;2-methylbutane;9-[(E)-2-naphthalen-2-ylprop-1-enyl]-1H-fluorene

ethane;2-methylbutane;9-[(E)-2-naphthalen-2-ylprop-1-enyl]-1H-fluorene (PubChem CID 143688293) has the molecular formula C35H44 and a molecular weight of 464.74 g/mol. Its IUPAC name is ethane;2-methylbutane;9-[(E)-2-naphthalen-2-ylprop-1-enyl]-1H-fluorene.

Molecular Properties

Compound Nameethane;2-methylbutane;9-[(E)-2-naphthalen-2-ylprop-1-enyl]-1H-fluorene
PubChem CID143688293
Molecular FormulaC35H44
Molecular Weight464.74 g/mol
Exact Mass464.34
IUPAC Nameethane;2-methylbutane;9-[(E)-2-naphthalen-2-ylprop-1-enyl]-1H-fluorene
SMILESC/C(=C\C1=C2CC=CC=C2c2ccccc21)c1ccc2ccccc2c1.CC.CC.CCC(C)C
InChIInChI=1S/C26H20.C5H12.2C2H6/c1-18(20-15-14-19-8-2-3-9-21(19)17-20)16-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26;1-4-5(2)3;2*1-2/h2-12,14-17H,13H2,1H3;5H,4H2,1-3H3;2*1-2H3/b18-16+;;;
InChIKeyTVXGYGCKFIWMQU-OFBWAKGQSA-N
XLogP11.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.74
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(E)-2-naphthalen-2-ylprop-1-en-1-ol
CID 70376926
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
2-[(2Z,8E)-undeca-2,8-dien-2-yl]naphthalene
CID 172611470
2-[(8Z)-undeca-2,8-dien-2-yl]naphthalene
CID 172611459
(Z)-4-methyl-3-naphthalen-2-ylpent-2-en-1-ol
CID 118599555
2-(butan-2-ylamino)-1-naphthalen-2-ylethanone
CID 82101621
2-[(2E,4E,8Z)-undeca-2,4,8-trien-2-yl]naphthalene
CID 140698391
2-(1-phenoxyprop-1-en-2-yl)naphthalene
CID 175768409
3-naphthalen-2-ylbut-2-enoyl chloride
CID 91215732
2-(4-phenoxybut-2-en-2-yl)naphthalene
CID 141037566
1-(3-chloropentan-2-yl)naphthalene
CID 79308301
2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene
CID 142975570

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylbutane;9-[(E)-2-naphthalen-2-ylprop-1-enyl]-1H-fluorene?
The IUPAC name of ethane;2-methylbutane;9-[(E)-2-naphthalen-2-ylprop-1-enyl]-1H-fluorene (CID 143688293) is ethane;2-methylbutane;9-[(E)-2-naphthalen-2-ylprop-1-enyl]-1H-fluorene.
What is the SMILES notation for ethane;2-methylbutane;9-[(E)-2-naphthalen-2-ylprop-1-enyl]-1H-fluorene?
The canonical SMILES for ethane;2-methylbutane;9-[(E)-2-naphthalen-2-ylprop-1-enyl]-1H-fluorene is C/C(=C\C1=C2CC=CC=C2c2ccccc21)c1ccc2ccccc2c1.CC.CC.CCC(C)C.
What is the InChIKey of ethane;2-methylbutane;9-[(E)-2-naphthalen-2-ylprop-1-enyl]-1H-fluorene?
The InChIKey is TVXGYGCKFIWMQU-OFBWAKGQSA-N. The full InChI is InChI=1S/C26H20.C5H12.2C2H6/c1-18(20-15-14-19-8-2-3-9-21(19)17-20)16-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26;1-4-5(2)3;2*1-2/h2-12,14-17H,13H2,1H3;5H,4H2,1-3H3;2*1-2H3/b18-16+;;;.
What are the key properties of ethane;2-methylbutane;9-[(E)-2-naphthalen-2-ylprop-1-enyl]-1H-fluorene?
ethane;2-methylbutane;9-[(E)-2-naphthalen-2-ylprop-1-enyl]-1H-fluorene has a molecular weight of 464.74 g/mol, XLogP of 11.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbutane;9-[(E)-2-naphthalen-2-ylprop-1-enyl]-1H-fluorene is sourced from PubChem (CID 143688293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).