5-carbazol-9-yl-3-isocyano-9-(3-isocyanophenyl)carbazole

C32H18N4 — CID 140760237

IUPAC5-carbazol-9-yl-3-isocyano-9-(3-isocyanophenyl)carbazole
SMILES[C-]#[N+]c1cccc(-n2c3ccc([N+]#[C-])cc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1
InChIInChI=1S/C32H18N4/c1-33-21-9-7-10-23(19-21)35-29-18-17-22(34-2)20-26(29)32-30(35)15-8-16-31(32)36-27-13-5-3-11-24(27)25-12-4-6-14-28(25)36/h3-20H
InChIKeyJKGYRVCNLFXWOX-UHFFFAOYSA-N
MW458.52 g/mol
LogP8.98
Rot. Bonds2

About 5-carbazol-9-yl-3-isocyano-9-(3-isocyanophenyl)carbazole

5-carbazol-9-yl-3-isocyano-9-(3-isocyanophenyl)carbazole (PubChem CID 140760237) has the molecular formula C32H18N4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 5-carbazol-9-yl-3-isocyano-9-(3-isocyanophenyl)carbazole.

Molecular Properties

Compound Name5-carbazol-9-yl-3-isocyano-9-(3-isocyanophenyl)carbazole
PubChem CID140760237
Molecular FormulaC32H18N4
Molecular Weight458.52 g/mol
Exact Mass458.15
IUPAC Name5-carbazol-9-yl-3-isocyano-9-(3-isocyanophenyl)carbazole
SMILES[C-]#[N+]c1cccc(-n2c3ccc([N+]#[C-])cc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1
InChIInChI=1S/C32H18N4/c1-33-21-9-7-10-23(19-21)35-29-18-17-22(34-2)20-26(29)32-30(35)15-8-16-31(32)36-27-13-5-3-11-24(27)25-12-4-6-14-28(25)36/h3-20H
InChIKeyJKGYRVCNLFXWOX-UHFFFAOYSA-N
XLogP8.98
TPSA18.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[2-[6-isocyano-9-(3-isocyanophenyl)carbazol-4-yl]phenyl]carbazole-3-carbonitrile
CID 140760338
3-carbazol-9-yl-9-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 162702859
6-isocyano-9-(3-isocyanophenyl)-1-(9-phenylcarbazol-1-yl)carbazole
CID 140759875
9-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-3-isocyanocarbazole
CID 155604945
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole
CID 159275273
4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 134352687
1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole
CID 140760424
11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole
CID 170268295
3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole
CID 134240254
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-4-isocyanocarbazole
CID 155603973
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(3-isocyanophenyl)carbazole
CID 140790446
9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole
CID 140822602

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-3-isocyano-9-(3-isocyanophenyl)carbazole?
The IUPAC name of 5-carbazol-9-yl-3-isocyano-9-(3-isocyanophenyl)carbazole (CID 140760237) is 5-carbazol-9-yl-3-isocyano-9-(3-isocyanophenyl)carbazole.
What is the SMILES notation for 5-carbazol-9-yl-3-isocyano-9-(3-isocyanophenyl)carbazole?
The canonical SMILES for 5-carbazol-9-yl-3-isocyano-9-(3-isocyanophenyl)carbazole is [C-]#[N+]c1cccc(-n2c3ccc([N+]#[C-])cc3c3c(-n4c5ccccc5c5ccccc54)cccc32)c1.
What is the InChIKey of 5-carbazol-9-yl-3-isocyano-9-(3-isocyanophenyl)carbazole?
The InChIKey is JKGYRVCNLFXWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N4/c1-33-21-9-7-10-23(19-21)35-29-18-17-22(34-2)20-26(29)32-30(35)15-8-16-31(32)36-27-13-5-3-11-24(27)25-12-4-6-14-28(25)36/h3-20H.
What are the key properties of 5-carbazol-9-yl-3-isocyano-9-(3-isocyanophenyl)carbazole?
5-carbazol-9-yl-3-isocyano-9-(3-isocyanophenyl)carbazole has a molecular weight of 458.52 g/mol, XLogP of 8.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-3-isocyano-9-(3-isocyanophenyl)carbazole is sourced from PubChem (CID 140760237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).