11-methoxy-5-phenyl-11H-benzo[b]fluorene-7-carbonitrile

C25H17NO — CID 102298135

IUPAC11-methoxy-5-phenyl-11H-benzo[b]fluorene-7-carbonitrile
SMILESCOC1c2ccccc2-c2c1cc1ccc(C#N)cc1c2-c1ccccc1
InChIInChI=1S/C25H17NO/c1-27-25-20-10-6-5-9-19(20)24-22(25)14-18-12-11-16(15-26)13-21(18)23(24)17-7-3-2-4-8-17/h2-14,25H,1H3
InChIKeyMJSCZGGOLUZNBL-UHFFFAOYSA-N
MW347.42 g/mol
LogP6.09
Rot. Bonds2

About 11-methoxy-5-phenyl-11H-benzo[b]fluorene-7-carbonitrile

11-methoxy-5-phenyl-11H-benzo[b]fluorene-7-carbonitrile (PubChem CID 102298135) has the molecular formula C25H17NO and a molecular weight of 347.42 g/mol. Its IUPAC name is 11-methoxy-5-phenyl-11H-benzo[b]fluorene-7-carbonitrile.

Molecular Properties

Compound Name11-methoxy-5-phenyl-11H-benzo[b]fluorene-7-carbonitrile
PubChem CID102298135
Molecular FormulaC25H17NO
Molecular Weight347.42 g/mol
Exact Mass347.13
IUPAC Name11-methoxy-5-phenyl-11H-benzo[b]fluorene-7-carbonitrile
SMILESCOC1c2ccccc2-c2c1cc1ccc(C#N)cc1c2-c1ccccc1
InChIInChI=1S/C25H17NO/c1-27-25-20-10-6-5-9-19(20)24-22(25)14-18-12-11-16(15-26)13-21(18)23(24)17-7-3-2-4-8-17/h2-14,25H,1H3
InChIKeyMJSCZGGOLUZNBL-UHFFFAOYSA-N
XLogP6.09
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethylphenyl)-11-methoxy-11H-benzo[b]fluorene-7-carbonitrile
CID 44604597
5-phenyl-11H-benzo[b]fluoren-11-ol
CID 11130631
9-[6-cyano-2-[2-(9H-fluoren-9-yl)phenyl]-3-phenylphenyl]carbazole-3-carbonitrile
CID 167401465
2-(2-phenylphenyl)benzene-1,4-dicarbonitrile
CID 126496747
4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 169297037
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile
CID 155456746
4-[1-(4-cyanophenyl)-3-methylnaphthalen-2-yl]benzonitrile
CID 122383144
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
3-(10-phenylanthracen-9-yl)benzonitrile
CID 89026886
4-fluoro-3-phenylbenzonitrile
CID 46314741
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CID 175261517

Frequently Asked Questions

What is the IUPAC name of 11-methoxy-5-phenyl-11H-benzo[b]fluorene-7-carbonitrile?
The IUPAC name of 11-methoxy-5-phenyl-11H-benzo[b]fluorene-7-carbonitrile (CID 102298135) is 11-methoxy-5-phenyl-11H-benzo[b]fluorene-7-carbonitrile.
What is the SMILES notation for 11-methoxy-5-phenyl-11H-benzo[b]fluorene-7-carbonitrile?
The canonical SMILES for 11-methoxy-5-phenyl-11H-benzo[b]fluorene-7-carbonitrile is COC1c2ccccc2-c2c1cc1ccc(C#N)cc1c2-c1ccccc1.
What is the InChIKey of 11-methoxy-5-phenyl-11H-benzo[b]fluorene-7-carbonitrile?
The InChIKey is MJSCZGGOLUZNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO/c1-27-25-20-10-6-5-9-19(20)24-22(25)14-18-12-11-16(15-26)13-21(18)23(24)17-7-3-2-4-8-17/h2-14,25H,1H3.
What are the key properties of 11-methoxy-5-phenyl-11H-benzo[b]fluorene-7-carbonitrile?
11-methoxy-5-phenyl-11H-benzo[b]fluorene-7-carbonitrile has a molecular weight of 347.42 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methoxy-5-phenyl-11H-benzo[b]fluorene-7-carbonitrile is sourced from PubChem (CID 102298135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).