5-(4-ethylphenyl)-11-methoxy-11H-benzo[b]fluorene-7-carbonitrile

C27H21NO — CID 44604597

IUPAC5-(4-ethylphenyl)-11-methoxy-11H-benzo[b]fluorene-7-carbonitrile
SMILESCCc1ccc(-c2c3c(cc4ccc(C#N)cc24)C(OC)c2ccccc2-3)cc1
InChIInChI=1S/C27H21NO/c1-3-17-8-11-19(12-9-17)25-23-14-18(16-28)10-13-20(23)15-24-26(25)21-6-4-5-7-22(21)27(24)29-2/h4-15,27H,3H2,1-2H3
InChIKeyMVDCERAQAAYIOZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP6.66
Rot. Bonds3

About 5-(4-ethylphenyl)-11-methoxy-11H-benzo[b]fluorene-7-carbonitrile

5-(4-ethylphenyl)-11-methoxy-11H-benzo[b]fluorene-7-carbonitrile (PubChem CID 44604597) has the molecular formula C27H21NO and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-11-methoxy-11H-benzo[b]fluorene-7-carbonitrile.

Molecular Properties

Compound Name5-(4-ethylphenyl)-11-methoxy-11H-benzo[b]fluorene-7-carbonitrile
PubChem CID44604597
Molecular FormulaC27H21NO
Molecular Weight375.47 g/mol
Exact Mass375.16
IUPAC Name5-(4-ethylphenyl)-11-methoxy-11H-benzo[b]fluorene-7-carbonitrile
SMILESCCc1ccc(-c2c3c(cc4ccc(C#N)cc24)C(OC)c2ccccc2-3)cc1
InChIInChI=1S/C27H21NO/c1-3-17-8-11-19(12-9-17)25-23-14-18(16-28)10-13-20(23)15-24-26(25)21-6-4-5-7-22(21)27(24)29-2/h4-15,27H,3H2,1-2H3
InChIKeyMVDCERAQAAYIOZ-UHFFFAOYSA-N
XLogP6.66
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11-methoxy-5-phenyl-11H-benzo[b]fluorene-7-carbonitrile
CID 102298135
4-(4-ethylphenyl)-3-phenylbenzonitrile
CID 46864016
7-ethylnaphthalene-2-carbonitrile
CID 134555002
3-(16-hexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaenyl)-4-methylbenzonitrile
CID 155456724
4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile
CID 57057404
4-[1-(4-cyanophenyl)-3-methylnaphthalen-2-yl]benzonitrile
CID 122383144
4-ethylbenzonitrile;fluoromethane
CID 143083977
9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene
CID 142403047
4-[2-[6-[2-(4-ethylphenyl)ethyl]-1-fluoronaphthalen-2-yl]ethynyl]benzonitrile
CID 139851337
(4-cyanophenyl)methyl-ethyl-(4-tetracen-5-ylphenyl)sulfanium
CID 19993401
2-(4-ethylphenyl)quinazoline-6-carbonitrile
CID 10945150
5-bromo-3-methyl-2H-indazole;bis(1-ethyl-4-methoxybenzene);3-methyl-2H-indazole-5-carbonitrile
CID 162289731

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-11-methoxy-11H-benzo[b]fluorene-7-carbonitrile?
The IUPAC name of 5-(4-ethylphenyl)-11-methoxy-11H-benzo[b]fluorene-7-carbonitrile (CID 44604597) is 5-(4-ethylphenyl)-11-methoxy-11H-benzo[b]fluorene-7-carbonitrile.
What is the SMILES notation for 5-(4-ethylphenyl)-11-methoxy-11H-benzo[b]fluorene-7-carbonitrile?
The canonical SMILES for 5-(4-ethylphenyl)-11-methoxy-11H-benzo[b]fluorene-7-carbonitrile is CCc1ccc(-c2c3c(cc4ccc(C#N)cc24)C(OC)c2ccccc2-3)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-11-methoxy-11H-benzo[b]fluorene-7-carbonitrile?
The InChIKey is MVDCERAQAAYIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO/c1-3-17-8-11-19(12-9-17)25-23-14-18(16-28)10-13-20(23)15-24-26(25)21-6-4-5-7-22(21)27(24)29-2/h4-15,27H,3H2,1-2H3.
What are the key properties of 5-(4-ethylphenyl)-11-methoxy-11H-benzo[b]fluorene-7-carbonitrile?
5-(4-ethylphenyl)-11-methoxy-11H-benzo[b]fluorene-7-carbonitrile has a molecular weight of 375.47 g/mol, XLogP of 6.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-11-methoxy-11H-benzo[b]fluorene-7-carbonitrile is sourced from PubChem (CID 44604597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).