4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile

C57H35N — CID 70847205

IUPAC4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c3-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C57H35N/c58-36-37-18-20-40(21-19-37)43-22-28-44(29-23-43)47-34-35-52-55-48(47)16-9-17-51(55)56-53(45-30-24-41(25-31-45)38-10-3-1-4-11-38)49-14-7-8-15-50(49)54(57(52)56)46-32-26-42(27-33-46)39-12-5-2-6-13-39/h1-35H
InChIKeyYUHQMXXUUZBSAL-UHFFFAOYSA-N
MW733.91 g/mol
LogP15.51
Rot. Bonds6

About 4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile

4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile (PubChem CID 70847205) has the molecular formula C57H35N and a molecular weight of 733.91 g/mol. Its IUPAC name is 4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile
PubChem CID70847205
Molecular FormulaC57H35N
Molecular Weight733.91 g/mol
Exact Mass733.28
IUPAC Name4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c3-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C57H35N/c58-36-37-18-20-40(21-19-37)43-22-28-44(29-23-43)47-34-35-52-55-48(47)16-9-17-51(55)56-53(45-30-24-41(25-31-45)38-10-3-1-4-11-38)49-14-7-8-15-50(49)54(57(52)56)46-32-26-42(27-33-46)39-12-5-2-6-13-39/h1-35H
InChIKeyYUHQMXXUUZBSAL-UHFFFAOYSA-N
XLogP15.51
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.91
LogP ≤ 515.51
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
4-[3-(N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]anilino)phenyl]benzonitrile
CID 118410686
3-[3-(7,9,12-triphenylbenzo[k]fluoranthen-4-yl)phenyl]benzonitrile
CID 166868366
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
4-[3-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-3-yl)phenyl]benzonitrile
CID 70847201
7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile
CID 166868408
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene
CID 58988857
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
4-[3-(N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]anilino)-5-[4-(methyliminomethyl)phenyl]phenyl]benzonitrile
CID 166714176
2-(9,10-diphenylanthracen-2-yl)-4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile
CID 146337711

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile (CID 70847205) is 4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c3-c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile?
The InChIKey is YUHQMXXUUZBSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N/c58-36-37-18-20-40(21-19-37)43-22-28-44(29-23-43)47-34-35-52-55-48(47)16-9-17-51(55)56-53(45-30-24-41(25-31-45)38-10-3-1-4-11-38)49-14-7-8-15-50(49)54(57(52)56)46-32-26-42(27-33-46)39-12-5-2-6-13-39/h1-35H.
What are the key properties of 4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile?
4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile has a molecular weight of 733.91 g/mol, XLogP of 15.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile is sourced from PubChem (CID 70847205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).