5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile

C54H32N2 — CID 166868365

IUPAC5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4c(c3-c3cccc(-c5ccccc5)c3)-c3cccc5cccc-4c35)c2)c1
InChIInChI=1S/C54H32N2/c55-33-35-26-36(34-56)28-46(27-35)42-20-8-21-43(30-42)49-32-50(44-22-7-18-40(29-44)37-12-3-1-4-13-37)53-47-24-10-16-39-17-11-25-48(51(39)47)54(53)52(49)45-23-9-19-41(31-45)38-14-5-2-6-15-38/h1-32H
InChIKeyHJNQMUUTTRDJMS-UHFFFAOYSA-N
MW708.86 g/mol
LogP14.23
Rot. Bonds6

About 5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile

5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile (PubChem CID 166868365) has the molecular formula C54H32N2 and a molecular weight of 708.86 g/mol. Its IUPAC name is 5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile
PubChem CID166868365
Molecular FormulaC54H32N2
Molecular Weight708.86 g/mol
Exact Mass708.26
IUPAC Name5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4c(c3-c3cccc(-c5ccccc5)c3)-c3cccc5cccc-4c35)c2)c1
InChIInChI=1S/C54H32N2/c55-33-35-26-36(34-56)28-46(27-35)42-20-8-21-43(30-42)49-32-50(44-22-7-18-40(29-44)37-12-3-1-4-13-37)53-47-24-10-16-39-17-11-25-48(51(39)47)54(53)52(49)45-23-9-19-41(31-45)38-14-5-2-6-15-38/h1-32H
InChIKeyHJNQMUUTTRDJMS-UHFFFAOYSA-N
XLogP14.23
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.86
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-phenyl-7,10-bis[3-(3-phenylphenyl)phenyl]fluoranthene
CID 123560042
4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile
CID 166868316
3-[3-(7,9,10-triphenylfluoranthen-2-yl)phenyl]benzonitrile
CID 166868435
3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile
CID 166868424
7,10-diphenyl-8-(4-phenylphenyl)fluoranthene
CID 59844130
6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile
CID 166868514
4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine
CID 118028340
4-[3-[4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]aniline
CID 166868488
4-[3-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-3-yl)phenyl]benzonitrile
CID 70847201
2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile
CID 126496826
2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine
CID 118314536
5-(2-phenylphenyl)benzene-1,3-dicarbonitrile
CID 126496791

Frequently Asked Questions

What is the IUPAC name of 5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile (CID 166868365) is 5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)c4c(c3-c3cccc(-c5ccccc5)c3)-c3cccc5cccc-4c35)c2)c1.
What is the InChIKey of 5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is HJNQMUUTTRDJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2/c55-33-35-26-36(34-56)28-46(27-35)42-20-8-21-43(30-42)49-32-50(44-22-7-18-40(29-44)37-12-3-1-4-13-37)53-47-24-10-16-39-17-11-25-48(51(39)47)54(53)52(49)45-23-9-19-41(31-45)38-14-5-2-6-15-38/h1-32H.
What are the key properties of 5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile?
5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 708.86 g/mol, XLogP of 14.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 166868365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).