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

C50H32N6 — CID 146543771

IUPAC2-[2,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-pyridinyl]benzonitrile
SMILESCn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(-c4ccccc4C#N)c(-n4c5ccccc5c5ccc6c(c7ccccc7n6C)c54)cn3)c12
InChIInChI=1S/C50H32N6/c1-53-39-19-9-7-17-36(39)47-43(53)25-23-34-32-15-5-11-21-41(32)55(49(34)47)45-29-52-46(27-38(45)31-14-4-3-13-30(31)28-51)56-42-22-12-6-16-33(42)35-24-26-44-48(50(35)56)37-18-8-10-20-40(37)54(44)2/h3-27,29H,1-2H3
InChIKeyOMDCRSXEFSSWPL-UHFFFAOYSA-N
MW716.85 g/mol
LogP12.10
Rot. Bonds3

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

2-[2,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-pyridinyl]benzonitrile (PubChem CID 146543771) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 2-[2,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[2,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-pyridinyl]benzonitrile
PubChem CID146543771
Molecular FormulaC50H32N6
Molecular Weight716.85 g/mol
Exact Mass716.27
IUPAC Name2-[2,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-pyridinyl]benzonitrile
SMILESCn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(-c4ccccc4C#N)c(-n4c5ccccc5c5ccc6c(c7ccccc7n6C)c54)cn3)c12
InChIInChI=1S/C50H32N6/c1-53-39-19-9-7-17-36(39)47-43(53)25-23-34-32-15-5-11-21-41(32)55(49(34)47)45-29-52-46(27-38(45)31-14-4-3-13-30(31)28-51)56-42-22-12-6-16-33(42)35-24-26-44-48(50(35)56)37-18-8-10-20-40(37)54(44)2/h3-27,29H,1-2H3
InChIKeyOMDCRSXEFSSWPL-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

2-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544203
2-[2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546475
2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546497
4-[2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-pyridinyl]benzonitrile
CID 146546450
2-[9-[5-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-(2-cyanophenyl)-2-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 142452327
2-[2,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 153043769
2-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 142452400
2-[12-(2-cyanophenyl)indolo[3,2-c]carbazol-5-yl]benzonitrile
CID 130352969
3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759243
2-[9-[4-(4-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]carbazol-2-yl]benzonitrile
CID 142452311
4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 142465728
3-[2,5-bis(3-tert-butylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 159452208

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-pyridinyl]benzonitrile?
The IUPAC name of 2-[2,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-pyridinyl]benzonitrile (CID 146543771) is 2-[2,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[2,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-pyridinyl]benzonitrile?
The canonical SMILES for 2-[2,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-pyridinyl]benzonitrile is Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(-c4ccccc4C#N)c(-n4c5ccccc5c5ccc6c(c7ccccc7n6C)c54)cn3)c12.
What is the InChIKey of 2-[2,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-pyridinyl]benzonitrile?
The InChIKey is OMDCRSXEFSSWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-53-39-19-9-7-17-36(39)47-43(53)25-23-34-32-15-5-11-21-41(32)55(49(34)47)45-29-52-46(27-38(45)31-14-4-3-13-30(31)28-51)56-42-22-12-6-16-33(42)35-24-26-44-48(50(35)56)37-18-8-10-20-40(37)54(44)2/h3-27,29H,1-2H3.
What are the key properties of 2-[2,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-pyridinyl]benzonitrile?
2-[2,5-bis(5-methylindolo[3,2-c]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 2-[2,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146543771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).