2,7-bis[(Z)-1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethenyl]-9-phenylcarbazole

C50H39F2N — CID 138978201

IUPAC2,7-bis[(Z)-1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethenyl]-9-phenylcarbazole
SMILESCc1ccc(/C(=C/c2ccc(F)cc2)c2ccc3c4ccc(/C(=C\c5ccc(F)cc5)c5ccc(C)c(C)c5)cc4n(-c4ccccc4)c3c2)cc1C
InChIInChI=1S/C50H39F2N/c1-32-10-16-38(26-34(32)3)47(28-36-12-20-42(51)21-13-36)40-18-24-45-46-25-19-41(31-50(46)53(49(45)30-40)44-8-6-5-7-9-44)48(29-37-14-22-43(52)23-15-37)39-17-11-33(2)35(4)27-39/h5-31H,1-4H3/b47-28-,48-29-
InChIKeyHJGURHFXKSQQFO-JMLAXBIBSA-N
MW691.87 g/mol
LogP13.47
Rot. Bonds7

About 2,7-bis[(Z)-1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethenyl]-9-phenylcarbazole

2,7-bis[(Z)-1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethenyl]-9-phenylcarbazole (PubChem CID 138978201) has the molecular formula C50H39F2N and a molecular weight of 691.87 g/mol. Its IUPAC name is 2,7-bis[(Z)-1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2,7-bis[(Z)-1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethenyl]-9-phenylcarbazole
PubChem CID138978201
Molecular FormulaC50H39F2N
Molecular Weight691.87 g/mol
Exact Mass691.31
IUPAC Name2,7-bis[(Z)-1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethenyl]-9-phenylcarbazole
SMILESCc1ccc(/C(=C/c2ccc(F)cc2)c2ccc3c4ccc(/C(=C\c5ccc(F)cc5)c5ccc(C)c(C)c5)cc4n(-c4ccccc4)c3c2)cc1C
InChIInChI=1S/C50H39F2N/c1-32-10-16-38(26-34(32)3)47(28-36-12-20-42(51)21-13-36)40-18-24-45-46-25-19-41(31-50(46)53(49(45)30-40)44-8-6-5-7-9-44)48(29-37-14-22-43(52)23-15-37)39-17-11-33(2)35(4)27-39/h5-31H,1-4H3/b47-28-,48-29-
InChIKeyHJGURHFXKSQQFO-JMLAXBIBSA-N
XLogP13.47
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.87
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-Phenylcarbazole
CID 70851
Carbazole, 1,4,9-trimethyl-
CID 146420
7-Methyl-7H-dibenzo(c,g)carbazole
CID 33699
9-methyl-2-(trifluoromethyl)-9H-carbazole
CID 49799223
Dextranase
CID 167312536
9-(p-Tolyl)carbazole
CID 15798651
9-[4-(tert-Butyl)phenyl]-9H-carbazole
CID 20688189
1,4,5,8,9-Pentamethylcarbazole
CID 617026
9-(1-Naphthyl)carbazole
CID 626218
4,4'-Bis(9H-carbazol-9-yl)biphenyl
CID 11248716
N-Ethyl-2-vinylcarbazole
CID 16217866
9-Ethyl-3-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]carbazole
CID 1744998

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[(Z)-1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethenyl]-9-phenylcarbazole?
The IUPAC name of 2,7-bis[(Z)-1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethenyl]-9-phenylcarbazole (CID 138978201) is 2,7-bis[(Z)-1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethenyl]-9-phenylcarbazole.
What is the SMILES notation for 2,7-bis[(Z)-1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethenyl]-9-phenylcarbazole?
The canonical SMILES for 2,7-bis[(Z)-1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethenyl]-9-phenylcarbazole is Cc1ccc(/C(=C/c2ccc(F)cc2)c2ccc3c4ccc(/C(=C\c5ccc(F)cc5)c5ccc(C)c(C)c5)cc4n(-c4ccccc4)c3c2)cc1C.
What is the InChIKey of 2,7-bis[(Z)-1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethenyl]-9-phenylcarbazole?
The InChIKey is HJGURHFXKSQQFO-JMLAXBIBSA-N. The full InChI is InChI=1S/C50H39F2N/c1-32-10-16-38(26-34(32)3)47(28-36-12-20-42(51)21-13-36)40-18-24-45-46-25-19-41(31-50(46)53(49(45)30-40)44-8-6-5-7-9-44)48(29-37-14-22-43(52)23-15-37)39-17-11-33(2)35(4)27-39/h5-31H,1-4H3/b47-28-,48-29-.
What are the key properties of 2,7-bis[(Z)-1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethenyl]-9-phenylcarbazole?
2,7-bis[(Z)-1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethenyl]-9-phenylcarbazole has a molecular weight of 691.87 g/mol, XLogP of 13.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[(Z)-1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethenyl]-9-phenylcarbazole is sourced from PubChem (CID 138978201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).