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

C43H25N5 — CID 155604034

IUPAC2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)-3-pyridinyl]benzonitrile
SMILES[C-]#[N+]c1cccc(-c2ccncc2-c2ccc(C#N)c(-n3c4ccccc4c4ccccc43)c2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C43H25N5/c1-45-37-16-10-15-35(43(37)48-40-19-8-4-13-33(40)34-14-5-9-20-41(34)48)30-23-24-46-27-36(30)28-21-22-29(26-44)42(25-28)47-38-17-6-2-11-31(38)32-12-3-7-18-39(32)47/h2-25,27H
InChIKeyMSYOUTXOXRQRIC-UHFFFAOYSA-N
MW611.71 g/mol
LogP11.03
Rot. Bonds4

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

2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)-3-pyridinyl]benzonitrile (PubChem CID 155604034) has the molecular formula C43H25N5 and a molecular weight of 611.71 g/mol. Its IUPAC name is 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)-3-pyridinyl]benzonitrile
PubChem CID155604034
Molecular FormulaC43H25N5
Molecular Weight611.71 g/mol
Exact Mass611.21
IUPAC Name2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)-3-pyridinyl]benzonitrile
SMILES[C-]#[N+]c1cccc(-c2ccncc2-c2ccc(C#N)c(-n3c4ccccc4c4ccccc43)c2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C43H25N5/c1-45-37-16-10-15-35(43(37)48-40-19-8-4-13-33(40)34-14-5-9-20-41(34)48)30-23-24-46-27-36(30)28-21-22-29(26-44)42(25-28)47-38-17-6-2-11-31(38)32-12-3-7-18-39(32)47/h2-25,27H
InChIKeyMSYOUTXOXRQRIC-UHFFFAOYSA-N
XLogP11.03
TPSA50.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.71
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-carbazol-9-yl-4-[2-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile
CID 155603483
2-carbazol-9-yl-5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile
CID 155603603
2-carbazol-9-yl-3-[3-(3-carbazol-9-yl-4-pyridinyl)phenyl]benzonitrile
CID 139523878
2-(2-carbazol-9-yl-3-isocyanophenyl)-5-(4-carbazol-9-ylphenyl)benzonitrile
CID 155604937
4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 140871885
2-carbazol-9-yl-3-(4-carbazol-9-yl-3-pyridinyl)benzonitrile
CID 139523629
5-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile
CID 155603787
2-carbazol-9-yl-4-[2-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]benzonitrile
CID 155603953
2-[3-[9-(2-cyano-6-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]-3-isocyanobenzonitrile
CID 140720967
2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 140846580
9-[4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155603929
2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;3-carbazol-9-yl-5-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;4-carbazol-9-yl-2-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]benzonitrile;5-(2-carbazol-9-yl-3-isocyanophenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 161355143

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)-3-pyridinyl]benzonitrile?
The IUPAC name of 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)-3-pyridinyl]benzonitrile (CID 155604034) is 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)-3-pyridinyl]benzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)-3-pyridinyl]benzonitrile?
The canonical SMILES for 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)-3-pyridinyl]benzonitrile is [C-]#[N+]c1cccc(-c2ccncc2-c2ccc(C#N)c(-n3c4ccccc4c4ccccc43)c2)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)-3-pyridinyl]benzonitrile?
The InChIKey is MSYOUTXOXRQRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N5/c1-45-37-16-10-15-35(43(37)48-40-19-8-4-13-33(40)34-14-5-9-20-41(34)48)30-23-24-46-27-36(30)28-21-22-29(26-44)42(25-28)47-38-17-6-2-11-31(38)32-12-3-7-18-39(32)47/h2-25,27H.
What are the key properties of 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)-3-pyridinyl]benzonitrile?
2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)-3-pyridinyl]benzonitrile has a molecular weight of 611.71 g/mol, XLogP of 11.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-4-[4-(2-carbazol-9-yl-3-isocyanophenyl)-3-pyridinyl]benzonitrile is sourced from PubChem (CID 155604034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).