7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile

C46H24N2 — CID 166868408

IUPAC7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile
SMILESN#Cc1ccc(-c2c(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc(-c3ccccc3)c3c2-c2cccc4c(C#N)ccc-3c24)cc1
InChIInChI=1S/C46H24N2/c47-25-27-16-18-29(19-17-27)42-41(34-22-23-37-33-11-5-4-10-32(33)35-13-7-14-36(34)44(35)37)24-40(28-8-2-1-3-9-28)45-39-21-20-30(26-48)31-12-6-15-38(43(31)39)46(42)45/h1-24H
InChIKeyJUDXZQBZINEQQZ-UHFFFAOYSA-N
MW604.71 g/mol
LogP12.03
Rot. Bonds3

About 7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile

7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile (PubChem CID 166868408) has the molecular formula C46H24N2 and a molecular weight of 604.71 g/mol. Its IUPAC name is 7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile.

Molecular Properties

Compound Name7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile
PubChem CID166868408
Molecular FormulaC46H24N2
Molecular Weight604.71 g/mol
Exact Mass604.19
IUPAC Name7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile
SMILESN#Cc1ccc(-c2c(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc(-c3ccccc3)c3c2-c2cccc4c(C#N)ccc-3c24)cc1
InChIInChI=1S/C46H24N2/c47-25-27-16-18-29(19-17-27)42-41(34-22-23-37-33-11-5-4-10-32(33)35-13-7-14-36(34)44(35)37)24-40(28-8-2-1-3-9-28)45-39-21-20-30(26-48)31-12-6-15-38(43(31)39)46(42)45/h1-24H
InChIKeyJUDXZQBZINEQQZ-UHFFFAOYSA-N
XLogP12.03
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]naphthalene-1-carbonitrile
CID 70847157
4-[4-[7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]phenyl]benzonitrile
CID 70847205
4-[4-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile
CID 70847246
4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile
CID 166868316
2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile
CID 70847250
4-(7,8,10-triphenylfluoranthen-2-yl)naphthalene-1-carbonitrile
CID 166868417
4-(9,10-diphenylanthracen-2-yl)-2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile
CID 146337707
3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]fluoranthene
CID 162426849
2-(9,10-diphenylanthracen-2-yl)-4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile
CID 146337711
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
3,10-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16(30),17,19,21,23,25(29),26-pentadecaene-19-carbonitrile
CID 20749544
4-[4-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-1-yl]fluoranthen-3-yl]phenyl]benzonitrile
CID 165376445

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile?
The IUPAC name of 7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile (CID 166868408) is 7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile.
What is the SMILES notation for 7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile?
The canonical SMILES for 7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile is N#Cc1ccc(-c2c(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc(-c3ccccc3)c3c2-c2cccc4c(C#N)ccc-3c24)cc1.
What is the InChIKey of 7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile?
The InChIKey is JUDXZQBZINEQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H24N2/c47-25-27-16-18-29(19-17-27)42-41(34-22-23-37-33-11-5-4-10-32(33)35-13-7-14-36(34)44(35)37)24-40(28-8-2-1-3-9-28)45-39-21-20-30(26-48)31-12-6-15-38(43(31)39)46(42)45/h1-24H.
What are the key properties of 7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile?
7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile has a molecular weight of 604.71 g/mol, XLogP of 12.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile is sourced from PubChem (CID 166868408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).