2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile

C41H25N — CID 70847250

IUPAC2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccccc1-c1ccc2c3c(cccc13)-c1c(-c3ccccc3)ccc(-c3ccccc3)c1-2
InChIInChI=1S/C41H25N/c42-26-29-16-7-8-17-30(29)33-18-9-10-19-34(33)35-24-25-38-39-36(35)20-11-21-37(39)40-31(27-12-3-1-4-13-27)22-23-32(41(38)40)28-14-5-2-6-15-28/h1-25H
InChIKeyNHZQKMJMCLSHAZ-UHFFFAOYSA-N
MW531.66 g/mol
LogP11.03
Rot. Bonds4

About 2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile

2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile (PubChem CID 70847250) has the molecular formula C41H25N and a molecular weight of 531.66 g/mol. Its IUPAC name is 2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile
PubChem CID70847250
Molecular FormulaC41H25N
Molecular Weight531.66 g/mol
Exact Mass531.20
IUPAC Name2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccccc1-c1ccc2c3c(cccc13)-c1c(-c3ccccc3)ccc(-c3ccccc3)c1-2
InChIInChI=1S/C41H25N/c42-26-29-16-7-8-17-30(29)33-18-9-10-19-34(33)35-24-25-38-39-36(35)20-11-21-37(39)40-31(27-12-3-1-4-13-27)22-23-32(41(38)40)28-14-5-2-6-15-28/h1-25H
InChIKeyNHZQKMJMCLSHAZ-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

4-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile
CID 70847246
4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]naphthalene-1-carbonitrile
CID 70847157
7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile
CID 166868408
2-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 134320671
4-(9,10-diphenylanthracen-2-yl)-2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile
CID 146337707
3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene
CID 58988912
2-(9,10-diphenylanthracen-2-yl)-4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile
CID 146337711
4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile
CID 70847205
2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile
CID 118410708
4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile
CID 70854915
4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-1-carbonitrile
CID 165376112
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853

Frequently Asked Questions

What is the IUPAC name of 2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile?
The IUPAC name of 2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile (CID 70847250) is 2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile.
What is the SMILES notation for 2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile?
The canonical SMILES for 2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile is N#Cc1ccccc1-c1ccccc1-c1ccc2c3c(cccc13)-c1c(-c3ccccc3)ccc(-c3ccccc3)c1-2.
What is the InChIKey of 2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile?
The InChIKey is NHZQKMJMCLSHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N/c42-26-29-16-7-8-17-30(29)33-18-9-10-19-34(33)35-24-25-38-39-36(35)20-11-21-37(39)40-31(27-12-3-1-4-13-27)22-23-32(41(38)40)28-14-5-2-6-15-28/h1-25H.
What are the key properties of 2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile?
2-[2-(7,10-diphenylfluoranthen-3-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 2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile is sourced from PubChem (CID 70847250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).