3-carbazol-9-yl-2-[6-(3-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]benzonitrile

C41H25N5 — CID 139523787

IUPAC3-carbazol-9-yl-2-[6-(3-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1cccc(-c2ccncc2-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C41H25N5/c42-25-27-11-9-22-39(45-35-18-5-1-12-28(35)29-13-2-6-19-36(29)45)41(27)34-17-10-16-33(44-34)32-23-24-43-26-40(32)46-37-20-7-3-14-30(37)31-15-4-8-21-38(31)46/h1-24,26H
InChIKeySHIDWRDWKVUDEC-UHFFFAOYSA-N
MW587.69 g/mol
LogP9.88
Rot. Bonds4

About 3-carbazol-9-yl-2-[6-(3-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]benzonitrile

3-carbazol-9-yl-2-[6-(3-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]benzonitrile (PubChem CID 139523787) has the molecular formula C41H25N5 and a molecular weight of 587.69 g/mol. Its IUPAC name is 3-carbazol-9-yl-2-[6-(3-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-2-[6-(3-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]benzonitrile
PubChem CID139523787
Molecular FormulaC41H25N5
Molecular Weight587.69 g/mol
Exact Mass587.21
IUPAC Name3-carbazol-9-yl-2-[6-(3-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1cccc(-c2ccncc2-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C41H25N5/c42-25-27-11-9-22-39(45-35-18-5-1-12-28(35)29-13-2-6-19-36(29)45)41(27)34-17-10-16-33(44-34)32-23-24-43-26-40(32)46-37-20-7-3-14-30(37)31-15-4-8-21-38(31)46/h1-24,26H
InChIKeySHIDWRDWKVUDEC-UHFFFAOYSA-N
XLogP9.88
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.69
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile
CID 139523878
2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile
CID 139523629
3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile
CID 139523628
2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129303673
9-(4-phenyl-3-pyridinyl)carbazole
CID 145009934
3-carbazol-9-yl-2-(4-triphenylsilylphenyl)benzonitrile
CID 153318562
5-[6-(2-carbazol-9-ylphenyl)-2-pyridinyl]pyridine-2-carbonitrile
CID 146542879
3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile
CID 155079568
3-carbazol-9-yl-2-[8-(4,6-diphenyl-2-pyridinyl)dibenzothiophen-2-yl]benzonitrile
CID 122575895
4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146409434
3-carbazol-9-yl-2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155080460
5-[2-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59480516

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-2-[6-(3-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]benzonitrile?
The IUPAC name of 3-carbazol-9-yl-2-[6-(3-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]benzonitrile (CID 139523787) is 3-carbazol-9-yl-2-[6-(3-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]benzonitrile.
What is the SMILES notation for 3-carbazol-9-yl-2-[6-(3-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]benzonitrile?
The canonical SMILES for 3-carbazol-9-yl-2-[6-(3-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]benzonitrile is N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1cccc(-c2ccncc2-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 3-carbazol-9-yl-2-[6-(3-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]benzonitrile?
The InChIKey is SHIDWRDWKVUDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5/c42-25-27-11-9-22-39(45-35-18-5-1-12-28(35)29-13-2-6-19-36(29)45)41(27)34-17-10-16-33(44-34)32-23-24-43-26-40(32)46-37-20-7-3-14-30(37)31-15-4-8-21-38(31)46/h1-24,26H.
What are the key properties of 3-carbazol-9-yl-2-[6-(3-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]benzonitrile?
3-carbazol-9-yl-2-[6-(3-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]benzonitrile has a molecular weight of 587.69 g/mol, XLogP of 9.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-2-[6-(3-carbazol-9-yl-4-pyridinyl)-2-pyridinyl]benzonitrile is sourced from PubChem (CID 139523787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).