4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile

C41H25N — CID 166868316

IUPAC4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3cc(-c4ccccc4)c4c(c3-c3ccccc3)-c3cccc5cccc-4c35)cc2)cc1
InChIInChI=1S/C41H25N/c42-26-27-17-19-28(20-18-27)29-21-23-31(24-22-29)36-25-37(30-9-3-1-4-10-30)40-34-15-7-13-32-14-8-16-35(38(32)34)41(40)39(36)33-11-5-2-6-12-33/h1-25H
InChIKeyCRNQMYWYVQGJHN-UHFFFAOYSA-N
MW531.66 g/mol
LogP11.03
Rot. Bonds4

About 4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile

4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile (PubChem CID 166868316) has the molecular formula C41H25N and a molecular weight of 531.66 g/mol. Its IUPAC name is 4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile
PubChem CID166868316
Molecular FormulaC41H25N
Molecular Weight531.66 g/mol
Exact Mass531.20
IUPAC Name4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3cc(-c4ccccc4)c4c(c3-c3ccccc3)-c3cccc5cccc-4c35)cc2)cc1
InChIInChI=1S/C41H25N/c42-26-27-17-19-28(20-18-27)29-21-23-31(24-22-29)36-25-37(30-9-3-1-4-10-30)40-34-15-7-13-32-14-8-16-35(38(32)34)41(40)39(36)33-11-5-2-6-12-33/h1-25H
InChIKeyCRNQMYWYVQGJHN-UHFFFAOYSA-N
XLogP11.03
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.66
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,10-diphenyl-8-(4-phenylphenyl)fluoranthene
CID 59844130
5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile
CID 166868365
6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile
CID 166868514
3-[3-(7,9,10-triphenylfluoranthen-2-yl)phenyl]benzonitrile
CID 166868435
3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile
CID 166868424
8-phenyl-7,10-bis[3-(3-phenylphenyl)phenyl]fluoranthene
CID 123560042
2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine
CID 118314536
7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile
CID 166868408
4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile
CID 70847205
4-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile
CID 70847246
4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine
CID 118028340
4-[4-[8-(4-methylphenyl)naphthalen-1-yl]phenyl]benzonitrile
CID 155443203

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile?
The IUPAC name of 4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile (CID 166868316) is 4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile.
What is the SMILES notation for 4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile?
The canonical SMILES for 4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3cc(-c4ccccc4)c4c(c3-c3ccccc3)-c3cccc5cccc-4c35)cc2)cc1.
What is the InChIKey of 4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile?
The InChIKey is CRNQMYWYVQGJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N/c42-26-27-17-19-28(20-18-27)29-21-23-31(24-22-29)36-25-37(30-9-3-1-4-10-30)40-34-15-7-13-32-14-8-16-35(38(32)34)41(40)39(36)33-11-5-2-6-12-33/h1-25H.
What are the key properties of 4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile?
4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile has a molecular weight of 531.66 g/mol, XLogP of 11.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile is sourced from PubChem (CID 166868316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).