1-[(9E)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one

C44H48O2 — CID 15475042

IUPAC1-[(9E)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one
SMILESCCCCCCCCC(=O)c1ccc2c(c1)/C(=C1\c3ccccc3-c3ccc(C(=O)CCCCCCCC)cc31)c1ccccc1-2
InChIInChI=1S/C44H48O2/c1-3-5-7-9-11-13-23-41(45)31-25-27-35-33-19-15-17-21-37(33)43(39(35)29-31)44-38-22-18-16-20-34(38)36-28-26-32(30-40(36)44)42(46)24-14-12-10-8-6-4-2/h15-22,25-30H,3-14,23-24H2,1-2H3/b44-43+
InChIKeyIZEIBTAYRZZACV-VGFSZAGXSA-N
MW608.87 g/mol
LogP12.52
Rot. Bonds16

About 1-[(9E)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one

1-[(9E)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one (PubChem CID 15475042) has the molecular formula C44H48O2 and a molecular weight of 608.87 g/mol. Its IUPAC name is 1-[(9E)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one.

Molecular Properties

Compound Name1-[(9E)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one
PubChem CID15475042
Molecular FormulaC44H48O2
Molecular Weight608.87 g/mol
Exact Mass608.37
IUPAC Name1-[(9E)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one
SMILESCCCCCCCCC(=O)c1ccc2c(c1)/C(=C1\c3ccccc3-c3ccc(C(=O)CCCCCCCC)cc31)c1ccccc1-2
InChIInChI=1S/C44H48O2/c1-3-5-7-9-11-13-23-41(45)31-25-27-35-33-19-15-17-21-37(33)43(39(35)29-31)44-38-22-18-16-20-34(38)36-28-26-32(30-40(36)44)42(46)24-14-12-10-8-6-4-2/h15-22,25-30H,3-14,23-24H2,1-2H3/b44-43+
InChIKeyIZEIBTAYRZZACV-VGFSZAGXSA-N
XLogP12.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.87
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[(9Z)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one
CID 101025623
1-[(9Z)-9-(2-octadecanoylfluoren-9-ylidene)fluoren-2-yl]octadecan-1-one
CID 11251489
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-phenylheptadecan-1-one
CID 577626
1-(3,4-dimethylphenyl)tetradecan-1-one
CID 146006499
1-(3,4-dimethylphenyl)undecan-1-one
CID 114968936
1-[3,5-di(tetradecanoyl)phenyl]hexadecan-1-one
CID 15726207
1-[3,5-di(dodecanoyl)phenyl]tetradecan-1-one
CID 14160625
1-(4-fluoro-3-methylphenyl)octan-1-one
CID 55186778
1-(3-acetylphenyl)nonan-1-one
CID 159969230
1-(3-bromophenyl)dodecan-1-one
CID 146009457
1-(3,4-difluorophenyl)heptan-1-one
CID 62622808

Frequently Asked Questions

What is the IUPAC name of 1-[(9E)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one?
The IUPAC name of 1-[(9E)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one (CID 15475042) is 1-[(9E)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one.
What is the SMILES notation for 1-[(9E)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one?
The canonical SMILES for 1-[(9E)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one is CCCCCCCCC(=O)c1ccc2c(c1)/C(=C1\c3ccccc3-c3ccc(C(=O)CCCCCCCC)cc31)c1ccccc1-2.
What is the InChIKey of 1-[(9E)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one?
The InChIKey is IZEIBTAYRZZACV-VGFSZAGXSA-N. The full InChI is InChI=1S/C44H48O2/c1-3-5-7-9-11-13-23-41(45)31-25-27-35-33-19-15-17-21-37(33)43(39(35)29-31)44-38-22-18-16-20-34(38)36-28-26-32(30-40(36)44)42(46)24-14-12-10-8-6-4-2/h15-22,25-30H,3-14,23-24H2,1-2H3/b44-43+.
What are the key properties of 1-[(9E)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one?
1-[(9E)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one has a molecular weight of 608.87 g/mol, XLogP of 12.52, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9E)-9-(2-nonanoylfluoren-9-ylidene)fluoren-2-yl]nonan-1-one is sourced from PubChem (CID 15475042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).