4-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile

C41H25N — CID 70847246

IUPAC4-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc4c5c(cccc35)-c3c(-c5ccccc5)ccc(-c5ccccc5)c3-4)cc2)cc1
InChIInChI=1S/C41H25N/c42-26-27-14-16-28(17-15-27)29-18-20-32(21-19-29)33-22-25-38-39-36(33)12-7-13-37(39)40-34(30-8-3-1-4-9-30)23-24-35(41(38)40)31-10-5-2-6-11-31/h1-25H
InChIKeySNAIFUXNOFDWQI-UHFFFAOYSA-N
MW531.66 g/mol
LogP11.03
Rot. Bonds4

About 4-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile

4-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile (PubChem CID 70847246) has the molecular formula C41H25N and a molecular weight of 531.66 g/mol. Its IUPAC name is 4-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile
PubChem CID70847246
Molecular FormulaC41H25N
Molecular Weight531.66 g/mol
Exact Mass531.20
IUPAC Name4-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc4c5c(cccc35)-c3c(-c5ccccc5)ccc(-c5ccccc5)c3-4)cc2)cc1
InChIInChI=1S/C41H25N/c42-26-27-14-16-28(17-15-27)29-18-20-32(21-19-29)33-22-25-38-39-36(33)12-7-13-37(39)40-34(30-8-3-1-4-9-30)23-24-35(41(38)40)31-10-5-2-6-11-31/h1-25H
InChIKeySNAIFUXNOFDWQI-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-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile
CID 70847205
2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile
CID 70847250
4-[3-(N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]anilino)phenyl]benzonitrile
CID 118410686
7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile
CID 166868408
4-[3-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-3-yl)phenyl]benzonitrile
CID 70847201
4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 146653688
4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]naphthalene-1-carbonitrile
CID 70847157
4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzonitrile
CID 146326937
4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile
CID 166868316
3-[16-(3-cyanophenyl)-25-(4-cyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaenyl]benzonitrile
CID 118268022
3-[3-(7,9,12-triphenylbenzo[k]fluoranthen-4-yl)phenyl]benzonitrile
CID 166868366
4-[2,3-bis(4-cyanophenyl)phenyl]benzonitrile
CID 66870651

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile?
The IUPAC name of 4-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile (CID 70847246) is 4-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile.
What is the SMILES notation for 4-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile?
The canonical SMILES for 4-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3ccc4c5c(cccc35)-c3c(-c5ccccc5)ccc(-c5ccccc5)c3-4)cc2)cc1.
What is the InChIKey of 4-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile?
The InChIKey is SNAIFUXNOFDWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N/c42-26-27-14-16-28(17-15-27)29-18-20-32(21-19-29)33-22-25-38-39-36(33)12-7-13-37(39)40-34(30-8-3-1-4-9-30)23-24-35(41(38)40)31-10-5-2-6-11-31/h1-25H.
What are the key properties of 4-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile?
4-[4-(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 4-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile is sourced from PubChem (CID 70847246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).