3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile

C41H25N — CID 166868424

IUPAC3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile
SMILESN#Cc1cccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4cccc-3c24)c1
InChIInChI=1S/C41H25N/c42-26-27-13-10-22-32(25-27)39-36(29-14-4-1-5-15-29)37(30-16-6-2-7-17-30)40-33-23-11-20-28-21-12-24-34(35(28)33)41(40)38(39)31-18-8-3-9-19-31/h1-25H
InChIKeyAZSRAWOSPAQPGE-UHFFFAOYSA-N
MW531.66 g/mol
LogP11.03
Rot. Bonds4

About 3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile

3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile (PubChem CID 166868424) has the molecular formula C41H25N and a molecular weight of 531.66 g/mol. Its IUPAC name is 3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile.

Molecular Properties

Compound Name3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile
PubChem CID166868424
Molecular FormulaC41H25N
Molecular Weight531.66 g/mol
Exact Mass531.20
IUPAC Name3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile
SMILESN#Cc1cccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4cccc-3c24)c1
InChIInChI=1S/C41H25N/c42-26-27-13-10-22-32(25-27)39-36(29-14-4-1-5-15-29)37(30-16-6-2-7-17-30)40-33-23-11-20-28-21-12-24-34(35(28)33)41(40)38(39)31-18-8-3-9-19-31/h1-25H
InChIKeyAZSRAWOSPAQPGE-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

3-[3-(7,9,10-triphenylfluoranthen-2-yl)phenyl]benzonitrile
CID 166868435
4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile
CID 166868316
5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile
CID 166868365
2-[2-(3-cyanophenyl)-4,5-bis(4-cyanophenyl)-3,6-diphenylphenyl]benzonitrile
CID 176917660
3-(10-phenylanthracen-9-yl)benzonitrile
CID 89026886
3-[14-[3,5-bis(N-phenylanilino)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-12-yl]benzonitrile
CID 122466269
6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile
CID 166868514
3-[2-(4-cyanophenyl)-4-(3,4-difluorophenyl)-3-fluoro-5-(2-fluorophenyl)-6-phenylphenyl]benzonitrile
CID 141429006
3-[3-(7,9,12-triphenylbenzo[k]fluoranthen-4-yl)phenyl]benzonitrile
CID 166868366
3-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzonitrile
CID 136695460
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]benzonitrile
CID 169297169
7,10-diphenyl-8-(4-phenylphenyl)fluoranthene
CID 59844130

Frequently Asked Questions

What is the IUPAC name of 3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile?
The IUPAC name of 3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile (CID 166868424) is 3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile.
What is the SMILES notation for 3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile?
The canonical SMILES for 3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile is N#Cc1cccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4cccc-3c24)c1.
What is the InChIKey of 3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile?
The InChIKey is AZSRAWOSPAQPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N/c42-26-27-13-10-22-32(25-27)39-36(29-14-4-1-5-15-29)37(30-16-6-2-7-17-30)40-33-23-11-20-28-21-12-24-34(35(28)33)41(40)38(39)31-18-8-3-9-19-31/h1-25H.
What are the key properties of 3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile?
3-(7,9,10-triphenylfluoranthen-8-yl)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 3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile is sourced from PubChem (CID 166868424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).