2-[10-(5-phenylindolo[3,2-b]indol-10-yl)fluoranthen-7-yl]benzene-1,3-dicarbonitrile

C44H24N4 — CID 145009472

IUPAC2-[10-(5-phenylindolo[3,2-b]indol-10-yl)fluoranthen-7-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc(-n2c3ccccc3c3c2c2ccccc2n3-c2ccccc2)c2c1-c1cccc3cccc-2c13
InChIInChI=1S/C44H24N4/c45-25-28-13-8-14-29(26-46)39(28)35-23-24-38(42-34-20-10-12-27-11-9-19-33(40(27)34)41(35)42)48-37-22-7-5-18-32(37)43-44(48)31-17-4-6-21-36(31)47(43)30-15-2-1-3-16-30/h1-24H
InChIKeyPQHQEUCZGCSTDL-UHFFFAOYSA-N
MW608.70 g/mol
LogP10.94
Rot. Bonds3

About 2-[10-(5-phenylindolo[3,2-b]indol-10-yl)fluoranthen-7-yl]benzene-1,3-dicarbonitrile

2-[10-(5-phenylindolo[3,2-b]indol-10-yl)fluoranthen-7-yl]benzene-1,3-dicarbonitrile (PubChem CID 145009472) has the molecular formula C44H24N4 and a molecular weight of 608.70 g/mol. Its IUPAC name is 2-[10-(5-phenylindolo[3,2-b]indol-10-yl)fluoranthen-7-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[10-(5-phenylindolo[3,2-b]indol-10-yl)fluoranthen-7-yl]benzene-1,3-dicarbonitrile
PubChem CID145009472
Molecular FormulaC44H24N4
Molecular Weight608.70 g/mol
Exact Mass608.20
IUPAC Name2-[10-(5-phenylindolo[3,2-b]indol-10-yl)fluoranthen-7-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc(-n2c3ccccc3c3c2c2ccccc2n3-c2ccccc2)c2c1-c1cccc3cccc-2c13
InChIInChI=1S/C44H24N4/c45-25-28-13-8-14-29(26-46)39(28)35-23-24-38(42-34-20-10-12-27-11-9-19-33(40(27)34)41(35)42)48-37-22-7-5-18-32(37)43-44(48)31-17-4-6-21-36(31)47(43)30-15-2-1-3-16-30/h1-24H
InChIKeyPQHQEUCZGCSTDL-UHFFFAOYSA-N
XLogP10.94
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.70
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile
CID 122433645
2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile
CID 155357386
2-[5-(2-cyano-6-isocyanophenyl)-9-phenylcarbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155645689
3-[2-cyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile
CID 137382258
4-[6-(5-phenylindolo[3,2-b]indol-10-yl)pyren-1-yl]benzonitrile
CID 145009298
2-(3,9-diphenylcarbazol-4-yl)benzene-1,3-dicarbonitrile
CID 155357747
2-[4-(9-carbazol-9-yl-5-phenylindolo[3,2-c]carbazol-12-yl)-2-phenylphenyl]benzene-1,3-dicarbonitrile
CID 147481564
2-[2-(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazol-1-yl]benzene-1,3-dicarbonitrile
CID 134604428
4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene
CID 118564873
2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129303673
2-[8-(2,6-dicyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155357809
3,4-di(carbazol-9-yl)-9-phenylcarbazole-1-carbonitrile
CID 155131704

Frequently Asked Questions

What is the IUPAC name of 2-[10-(5-phenylindolo[3,2-b]indol-10-yl)fluoranthen-7-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[10-(5-phenylindolo[3,2-b]indol-10-yl)fluoranthen-7-yl]benzene-1,3-dicarbonitrile (CID 145009472) is 2-[10-(5-phenylindolo[3,2-b]indol-10-yl)fluoranthen-7-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[10-(5-phenylindolo[3,2-b]indol-10-yl)fluoranthen-7-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[10-(5-phenylindolo[3,2-b]indol-10-yl)fluoranthen-7-yl]benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1ccc(-n2c3ccccc3c3c2c2ccccc2n3-c2ccccc2)c2c1-c1cccc3cccc-2c13.
What is the InChIKey of 2-[10-(5-phenylindolo[3,2-b]indol-10-yl)fluoranthen-7-yl]benzene-1,3-dicarbonitrile?
The InChIKey is PQHQEUCZGCSTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4/c45-25-28-13-8-14-29(26-46)39(28)35-23-24-38(42-34-20-10-12-27-11-9-19-33(40(27)34)41(35)42)48-37-22-7-5-18-32(37)43-44(48)31-17-4-6-21-36(31)47(43)30-15-2-1-3-16-30/h1-24H.
What are the key properties of 2-[10-(5-phenylindolo[3,2-b]indol-10-yl)fluoranthen-7-yl]benzene-1,3-dicarbonitrile?
2-[10-(5-phenylindolo[3,2-b]indol-10-yl)fluoranthen-7-yl]benzene-1,3-dicarbonitrile has a molecular weight of 608.70 g/mol, XLogP of 10.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(5-phenylindolo[3,2-b]indol-10-yl)fluoranthen-7-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 145009472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).