2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile

C30H17BrN4 — CID 142753936

IUPAC2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile
SMILESN#Cc1cc(Br)ncc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C30H17BrN4/c31-30-15-19(17-32)29(18-33-30)35-27-12-6-3-9-23(27)24-16-20(13-14-28(24)35)34-25-10-4-1-7-21(25)22-8-2-5-11-26(22)34/h1-16,18H
InChIKeySLSCOCGXTXZHJP-UHFFFAOYSA-N
MW513.40 g/mol
LogP7.91
Rot. Bonds2

About 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile

2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile (PubChem CID 142753936) has the molecular formula C30H17BrN4 and a molecular weight of 513.40 g/mol. Its IUPAC name is 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile
PubChem CID142753936
Molecular FormulaC30H17BrN4
Molecular Weight513.40 g/mol
Exact Mass512.06
IUPAC Name2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile
SMILESN#Cc1cc(Br)ncc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C30H17BrN4/c31-30-15-19(17-32)29(18-33-30)35-27-12-6-3-9-23(27)24-16-20(13-14-28(24)35)34-25-10-4-1-7-21(25)22-8-2-5-11-26(22)34/h1-16,18H
InChIKeySLSCOCGXTXZHJP-UHFFFAOYSA-N
XLogP7.91
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.40
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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
3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759243
5-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 138735931
4-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759079
4-[2,3,5-tris(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759220
4-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]benzonitrile
CID 146409612
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
2-[2,6-bis(2-cyanophenyl)pyrimidin-4-yl]-5-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 126735062
4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 134292574
2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134321066
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile (CID 142753936) is 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile is N#Cc1cc(Br)ncc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile?
The InChIKey is SLSCOCGXTXZHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17BrN4/c31-30-15-19(17-32)29(18-33-30)35-27-12-6-3-9-23(27)24-16-20(13-14-28(24)35)34-25-10-4-1-7-21(25)22-8-2-5-11-26(22)34/h1-16,18H.
What are the key properties of 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile?
2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile has a molecular weight of 513.40 g/mol, XLogP of 7.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-carbazol-9-ylcarbazol-9-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 142753936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).