4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile

C50H32N6 — CID 146546450

IUPAC4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile
SMILESCn1c2ccccc2c2ccc3c4ccccc4n(-c4cc(-c5ccc(C#N)cc5)c(-n5c6ccccc6c6ccc7c8ccccc8n(C)c7c65)cn4)c3c21
InChIInChI=1S/C50H32N6/c1-53-41-15-7-3-11-32(41)36-23-25-38-34-13-5-9-17-43(34)55(49(38)47(36)53)45-29-52-46(27-40(45)31-21-19-30(28-51)20-22-31)56-44-18-10-6-14-35(44)39-26-24-37-33-12-4-8-16-42(33)54(2)48(37)50(39)56/h3-27,29H,1-2H3
InChIKeyDBFNMYOGRGBZOB-UHFFFAOYSA-N
MW716.85 g/mol
LogP12.10
Rot. Bonds3

About 4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile

4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile (PubChem CID 146546450) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile
PubChem CID146546450
Molecular FormulaC50H32N6
Molecular Weight716.85 g/mol
Exact Mass716.27
IUPAC Name4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile
SMILESCn1c2ccccc2c2ccc3c4ccccc4n(-c4cc(-c5ccc(C#N)cc5)c(-n5c6ccccc6c6ccc7c8ccccc8n(C)c7c65)cn4)c3c21
InChIInChI=1S/C50H32N6/c1-53-41-15-7-3-11-32(41)36-23-25-38-34-13-5-9-17-43(34)55(49(38)47(36)53)45-29-52-46(27-40(45)31-21-19-30(28-51)20-22-31)56-44-18-10-6-14-35(44)39-26-24-37-33-12-4-8-16-42(33)54(2)48(37)50(39)56/h3-27,29H,1-2H3
InChIKeyDBFNMYOGRGBZOB-UHFFFAOYSA-N
XLogP12.10
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.85
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543732
4-[2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546458
2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile
CID 142452311
4-[2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146543862
4-[2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546432
2-[2,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-pyridinyl]benzonitrile
CID 146543771
3-[9-[5-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(4-cyanophenyl)-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile
CID 142452279
5-[4-cyano-3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139538922
2-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;3-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[2,5-bis(2-methylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 158854072
4-(3-cyano-5-methylphenyl)-2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile
CID 159036284
4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544317
4-[2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543869

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile?
The IUPAC name of 4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile (CID 146546450) is 4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile is Cn1c2ccccc2c2ccc3c4ccccc4n(-c4cc(-c5ccc(C#N)cc5)c(-n5c6ccccc6c6ccc7c8ccccc8n(C)c7c65)cn4)c3c21.
What is the InChIKey of 4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile?
The InChIKey is DBFNMYOGRGBZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-53-41-15-7-3-11-32(41)36-23-25-38-34-13-5-9-17-43(34)55(49(38)47(36)53)45-29-52-46(27-40(45)31-21-19-30(28-51)20-22-31)56-44-18-10-6-14-35(44)39-26-24-37-33-12-4-8-16-42(33)54(2)48(37)50(39)56/h3-27,29H,1-2H3.
What are the key properties of 4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile?
4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile has a molecular weight of 716.85 g/mol, XLogP of 12.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146546450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).