9-methyl-7,7-diphenylbenzo[c]fluorene-5-carbonitrile

C31H21N — CID 144613202

IUPAC9-methyl-7,7-diphenylbenzo[c]fluorene-5-carbonitrile
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C#N)c3ccccc3c1-2
InChIInChI=1S/C31H21N/c1-21-16-17-27-28(18-21)31(23-10-4-2-5-11-23,24-12-6-3-7-13-24)29-19-22(20-32)25-14-8-9-15-26(25)30(27)29/h2-19H,1H3
InChIKeyZNOCCXUYEHWHLW-UHFFFAOYSA-N
MW407.52 g/mol
LogP7.38
Rot. Bonds2

About 9-methyl-7,7-diphenylbenzo[c]fluorene-5-carbonitrile

9-methyl-7,7-diphenylbenzo[c]fluorene-5-carbonitrile (PubChem CID 144613202) has the molecular formula C31H21N and a molecular weight of 407.52 g/mol. Its IUPAC name is 9-methyl-7,7-diphenylbenzo[c]fluorene-5-carbonitrile.

Molecular Properties

Compound Name9-methyl-7,7-diphenylbenzo[c]fluorene-5-carbonitrile
PubChem CID144613202
Molecular FormulaC31H21N
Molecular Weight407.52 g/mol
Exact Mass407.17
IUPAC Name9-methyl-7,7-diphenylbenzo[c]fluorene-5-carbonitrile
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C#N)c3ccccc3c1-2
InChIInChI=1S/C31H21N/c1-21-16-17-27-28(18-21)31(23-10-4-2-5-11-23,24-12-6-3-7-13-24)29-19-22(20-32)25-14-8-9-15-26(25)30(27)29/h2-19H,1H3
InChIKeyZNOCCXUYEHWHLW-UHFFFAOYSA-N
XLogP7.38
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene
CID 142714191
9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene
CID 59755354
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile
CID 159211457
3-[dibenzothiophen-4-yl-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)amino]benzonitrile
CID 144614681
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile
CID 118398019
5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 134240897
N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine
CID 144614658
7,7-bis(4-hexylphenyl)-5,9-dimethylbenzo[c]fluorene
CID 140661825
7-(4-methylphenyl)-7-phenyl-9-[10-(4-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 144583282
5-methyl-7,7-diphenyl-9-(2-phenylprop-1-enyl)benzo[c]fluorene
CID 59575154

Frequently Asked Questions

What is the IUPAC name of 9-methyl-7,7-diphenylbenzo[c]fluorene-5-carbonitrile?
The IUPAC name of 9-methyl-7,7-diphenylbenzo[c]fluorene-5-carbonitrile (CID 144613202) is 9-methyl-7,7-diphenylbenzo[c]fluorene-5-carbonitrile.
What is the SMILES notation for 9-methyl-7,7-diphenylbenzo[c]fluorene-5-carbonitrile?
The canonical SMILES for 9-methyl-7,7-diphenylbenzo[c]fluorene-5-carbonitrile is Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C#N)c3ccccc3c1-2.
What is the InChIKey of 9-methyl-7,7-diphenylbenzo[c]fluorene-5-carbonitrile?
The InChIKey is ZNOCCXUYEHWHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N/c1-21-16-17-27-28(18-21)31(23-10-4-2-5-11-23,24-12-6-3-7-13-24)29-19-22(20-32)25-14-8-9-15-26(25)30(27)29/h2-19H,1H3.
What are the key properties of 9-methyl-7,7-diphenylbenzo[c]fluorene-5-carbonitrile?
9-methyl-7,7-diphenylbenzo[c]fluorene-5-carbonitrile has a molecular weight of 407.52 g/mol, XLogP of 7.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7,7-diphenylbenzo[c]fluorene-5-carbonitrile is sourced from PubChem (CID 144613202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).