9-(2-methylphenyl)-9-[2-methyl-4-[3-[(Z)-3-phenyl-1-(3-phenylphenyl)but-1-enyl]phenyl]phenyl]fluorene

C55H44 — CID 142469923

IUPAC9-(2-methylphenyl)-9-[2-methyl-4-[3-[(Z)-3-phenyl-1-(3-phenylphenyl)but-1-enyl]phenyl]phenyl]fluorene
SMILESCc1ccccc1C1(c2ccc(-c3cccc(/C(=C\C(C)c4ccccc4)c4cccc(-c5ccccc5)c4)c3)cc2C)c2ccccc2-c2ccccc21
InChIInChI=1S/C55H44/c1-38-18-10-13-29-51(38)55(53-30-14-11-27-48(53)49-28-12-15-31-54(49)55)52-33-32-45(34-40(52)3)44-24-17-26-47(37-44)50(35-39(2)41-19-6-4-7-20-41)46-25-16-23-43(36-46)42-21-8-5-9-22-42/h4-37,39H,1-3H3/b50-35-
InChIKeyZQDFYBJVPUNNBR-PCIFVOTLSA-N
MW704.96 g/mol
LogP14.24
Rot. Bonds8

About 9-(2-methylphenyl)-9-[2-methyl-4-[3-[(Z)-3-phenyl-1-(3-phenylphenyl)but-1-enyl]phenyl]phenyl]fluorene

9-(2-methylphenyl)-9-[2-methyl-4-[3-[(Z)-3-phenyl-1-(3-phenylphenyl)but-1-enyl]phenyl]phenyl]fluorene (PubChem CID 142469923) has the molecular formula C55H44 and a molecular weight of 704.96 g/mol. Its IUPAC name is 9-(2-methylphenyl)-9-[2-methyl-4-[3-[(Z)-3-phenyl-1-(3-phenylphenyl)but-1-enyl]phenyl]phenyl]fluorene.

Molecular Properties

Compound Name9-(2-methylphenyl)-9-[2-methyl-4-[3-[(Z)-3-phenyl-1-(3-phenylphenyl)but-1-enyl]phenyl]phenyl]fluorene
PubChem CID142469923
Molecular FormulaC55H44
Molecular Weight704.96 g/mol
Exact Mass704.34
IUPAC Name9-(2-methylphenyl)-9-[2-methyl-4-[3-[(Z)-3-phenyl-1-(3-phenylphenyl)but-1-enyl]phenyl]phenyl]fluorene
SMILESCc1ccccc1C1(c2ccc(-c3cccc(/C(=C\C(C)c4ccccc4)c4cccc(-c5ccccc5)c4)c3)cc2C)c2ccccc2-c2ccccc21
InChIInChI=1S/C55H44/c1-38-18-10-13-29-51(38)55(53-30-14-11-27-48(53)49-28-12-15-31-54(49)55)52-33-32-45(34-40(52)3)44-24-17-26-47(37-44)50(35-39(2)41-19-6-4-7-20-41)46-25-16-23-43(36-46)42-21-8-5-9-22-42/h4-37,39H,1-3H3/b50-35-
InChIKeyZQDFYBJVPUNNBR-PCIFVOTLSA-N
XLogP14.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.96
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1Z,3E,5S)-1-[3-(2-methyl-5-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-3,5-diphenylhexa-1,3-dien-1-amine
CID 174328117
2-[9,9-bis(2-methylphenyl)fluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 139566173
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
3-(3-buta-1,3-dien-2-ylphenyl)-9,9'-spirobi[fluorene]
CID 153369042
methane;3-phenyl-9,9'-spirobi[fluorene]
CID 145237340
6-[(3E,5E)-6-(3-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)hepta-3,5-dien-2-yl]benzene-1,2,3,4,5-pentol
CID 142356340
2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene]
CID 155616798
4-[6'-[3-[(1Z)-1-(3-methyl-2-pyridinyl)buta-1,3-dienyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-3'-yl]-2,6-diphenylpyrimidine
CID 167112050
CID 139521138
CID 139521138
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
CID 139521142
CID 139521142
CID 158278496
CID 158278496

Frequently Asked Questions

What is the IUPAC name of 9-(2-methylphenyl)-9-[2-methyl-4-[3-[(Z)-3-phenyl-1-(3-phenylphenyl)but-1-enyl]phenyl]phenyl]fluorene?
The IUPAC name of 9-(2-methylphenyl)-9-[2-methyl-4-[3-[(Z)-3-phenyl-1-(3-phenylphenyl)but-1-enyl]phenyl]phenyl]fluorene (CID 142469923) is 9-(2-methylphenyl)-9-[2-methyl-4-[3-[(Z)-3-phenyl-1-(3-phenylphenyl)but-1-enyl]phenyl]phenyl]fluorene.
What is the SMILES notation for 9-(2-methylphenyl)-9-[2-methyl-4-[3-[(Z)-3-phenyl-1-(3-phenylphenyl)but-1-enyl]phenyl]phenyl]fluorene?
The canonical SMILES for 9-(2-methylphenyl)-9-[2-methyl-4-[3-[(Z)-3-phenyl-1-(3-phenylphenyl)but-1-enyl]phenyl]phenyl]fluorene is Cc1ccccc1C1(c2ccc(-c3cccc(/C(=C\C(C)c4ccccc4)c4cccc(-c5ccccc5)c4)c3)cc2C)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(2-methylphenyl)-9-[2-methyl-4-[3-[(Z)-3-phenyl-1-(3-phenylphenyl)but-1-enyl]phenyl]phenyl]fluorene?
The InChIKey is ZQDFYBJVPUNNBR-PCIFVOTLSA-N. The full InChI is InChI=1S/C55H44/c1-38-18-10-13-29-51(38)55(53-30-14-11-27-48(53)49-28-12-15-31-54(49)55)52-33-32-45(34-40(52)3)44-24-17-26-47(37-44)50(35-39(2)41-19-6-4-7-20-41)46-25-16-23-43(36-46)42-21-8-5-9-22-42/h4-37,39H,1-3H3/b50-35-.
What are the key properties of 9-(2-methylphenyl)-9-[2-methyl-4-[3-[(Z)-3-phenyl-1-(3-phenylphenyl)but-1-enyl]phenyl]phenyl]fluorene?
9-(2-methylphenyl)-9-[2-methyl-4-[3-[(Z)-3-phenyl-1-(3-phenylphenyl)but-1-enyl]phenyl]phenyl]fluorene has a molecular weight of 704.96 g/mol, XLogP of 14.24, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylphenyl)-9-[2-methyl-4-[3-[(Z)-3-phenyl-1-(3-phenylphenyl)but-1-enyl]phenyl]phenyl]fluorene is sourced from PubChem (CID 142469923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).