2-[7-(4-isocyano-2-pyridinyl)-9-phenylcarbazol-2-yl]pyridine-4-carbonitrile

C30H17N5 — CID 140769226

IUPAC2-[7-(4-isocyano-2-pyridinyl)-9-phenylcarbazol-2-yl]pyridine-4-carbonitrile
SMILES[C-]#[N+]c1ccnc(-c2ccc3c4ccc(-c5cc(C#N)ccn5)cc4n(-c4ccccc4)c3c2)c1
InChIInChI=1S/C30H17N5/c1-32-23-12-14-34-28(18-23)22-8-10-26-25-9-7-21(27-15-20(19-31)11-13-33-27)16-29(25)35(30(26)17-22)24-5-3-2-4-6-24/h2-18H
InChIKeyLVEUYGFUEKBYOV-UHFFFAOYSA-N
MW447.50 g/mol
LogP7.33
Rot. Bonds3

About 2-[7-(4-isocyano-2-pyridinyl)-9-phenylcarbazol-2-yl]pyridine-4-carbonitrile

2-[7-(4-isocyano-2-pyridinyl)-9-phenylcarbazol-2-yl]pyridine-4-carbonitrile (PubChem CID 140769226) has the molecular formula C30H17N5 and a molecular weight of 447.50 g/mol. Its IUPAC name is 2-[7-(4-isocyano-2-pyridinyl)-9-phenylcarbazol-2-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[7-(4-isocyano-2-pyridinyl)-9-phenylcarbazol-2-yl]pyridine-4-carbonitrile
PubChem CID140769226
Molecular FormulaC30H17N5
Molecular Weight447.50 g/mol
Exact Mass447.15
IUPAC Name2-[7-(4-isocyano-2-pyridinyl)-9-phenylcarbazol-2-yl]pyridine-4-carbonitrile
SMILES[C-]#[N+]c1ccnc(-c2ccc3c4ccc(-c5cc(C#N)ccn5)cc4n(-c4ccccc4)c3c2)c1
InChIInChI=1S/C30H17N5/c1-32-23-12-14-34-28(18-23)22-8-10-26-25-9-7-21(27-15-20(19-31)11-13-33-27)16-29(25)35(30(26)17-22)24-5-3-2-4-6-24/h2-18H
InChIKeyLVEUYGFUEKBYOV-UHFFFAOYSA-N
XLogP7.33
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 57.33
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-[4-[6-[4-(4-isocyano-2-pyridinyl)phenyl]-9-phenylcarbazol-3-yl]phenyl]pyridine-4-carbonitrile
CID 140769156
2-[7-(4-isocyano-2-pyridinyl)-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile
CID 140769533
6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-9-phenylcarbazole-3-carbonitrile
CID 123176702
2-(7-phenylbenzo[c]carbazol-10-yl)pyridine-4-carbonitrile
CID 118397617
2-[6-[10-[5-(4-isocyano-2-pyridinyl)-2-pyridinyl]-2-phenylanthracen-9-yl]-3-pyridinyl]pyridine-4-carbonitrile
CID 140769539
2-(3,5-diphenylphenyl)-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;3-[6-[4-[7-(3-isocyano-5-phenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-2-yl]-5-phenylbenzonitrile
CID 157208195
2-[3-[8-[3-(4-isocyano-2-pyridinyl)phenyl]dibenzofuran-2-yl]phenyl]pyridine-4-carbonitrile
CID 140769444
2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile
CID 162155580
6-isocyano-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazole-3-carbonitrile
CID 123627774
3-[3-[2-[3-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]phenyl]benzonitrile
CID 140760373
2-[3-[15-[3-(4-isocyano-2-pyridinyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]pyridine-4-carbonitrile
CID 140769347
3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-5-isocyanobenzonitrile
CID 161364432

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-isocyano-2-pyridinyl)-9-phenylcarbazol-2-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[7-(4-isocyano-2-pyridinyl)-9-phenylcarbazol-2-yl]pyridine-4-carbonitrile (CID 140769226) is 2-[7-(4-isocyano-2-pyridinyl)-9-phenylcarbazol-2-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[7-(4-isocyano-2-pyridinyl)-9-phenylcarbazol-2-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[7-(4-isocyano-2-pyridinyl)-9-phenylcarbazol-2-yl]pyridine-4-carbonitrile is [C-]#[N+]c1ccnc(-c2ccc3c4ccc(-c5cc(C#N)ccn5)cc4n(-c4ccccc4)c3c2)c1.
What is the InChIKey of 2-[7-(4-isocyano-2-pyridinyl)-9-phenylcarbazol-2-yl]pyridine-4-carbonitrile?
The InChIKey is LVEUYGFUEKBYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17N5/c1-32-23-12-14-34-28(18-23)22-8-10-26-25-9-7-21(27-15-20(19-31)11-13-33-27)16-29(25)35(30(26)17-22)24-5-3-2-4-6-24/h2-18H.
What are the key properties of 2-[7-(4-isocyano-2-pyridinyl)-9-phenylcarbazol-2-yl]pyridine-4-carbonitrile?
2-[7-(4-isocyano-2-pyridinyl)-9-phenylcarbazol-2-yl]pyridine-4-carbonitrile has a molecular weight of 447.50 g/mol, XLogP of 7.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-isocyano-2-pyridinyl)-9-phenylcarbazol-2-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 140769226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).