9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole

C44H26N4 — CID 140822457

IUPAC9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1c([N+]#[C-])cc(-c2ccccc2)cc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C44H26N4/c1-45-32-22-25-43-38(28-32)36-16-8-11-19-42(36)48(43)44-37(26-31(27-39(44)46-2)29-12-4-3-5-13-29)30-20-23-33(24-21-30)47-40-17-9-6-14-34(40)35-15-7-10-18-41(35)47/h3-28H
InChIKeyISWGJTNKYIIADI-UHFFFAOYSA-N
MW610.72 g/mol
LogP12.32
Rot. Bonds4

About 9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole

9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole (PubChem CID 140822457) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole.

Molecular Properties

Compound Name9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole
PubChem CID140822457
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1c([N+]#[C-])cc(-c2ccccc2)cc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C44H26N4/c1-45-32-22-25-43-38(28-32)36-16-8-11-19-42(36)48(43)44-37(26-31(27-39(44)46-2)29-12-4-3-5-13-29)30-20-23-33(24-21-30)47-40-17-9-6-14-34(40)35-15-7-10-18-41(35)47/h3-28H
InChIKeyISWGJTNKYIIADI-UHFFFAOYSA-N
XLogP12.32
TPSA18.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 512.32
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

3-[4-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole;9-[4-(2-carbazol-9-yl-5-phenylphenyl)-2-cyanophenyl]carbazole-3-carbonitrile;9-[2-cyano-4-[2-(3-isocyanocarbazol-9-yl)-5-phenylphenyl]phenyl]carbazole-3-carbonitrile
CID 165053501
3-[9-(4-isocyano-2,6-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158455091
3-carbazol-9-yl-9-[4-(2,6-diisocyanophenyl)-2,6-diphenylphenyl]carbazole
CID 140903077
3,6-di(carbazol-9-yl)-9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,6-diisocyanophenyl]carbazole
CID 140779278
9-[2-(2-carbazol-9-yl-3-phenylphenyl)-4-phenylphenyl]-3,6-diisocyanocarbazole
CID 140825409
3-tert-butyl-9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-isocyanocarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diisocyanocarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-isocyanocarbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-isocyano-6-phenylcarbazole
CID 159299447
3,6-di(carbazol-9-yl)-9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole
CID 140779361
2-[9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-5-isocyanobenzonitrile
CID 158449552
[3-isocyano-5-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-triphenylsilane
CID 153318570
9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-1-isocyanocarbazole
CID 155604807
3-[9-(4-isocyanophenyl)carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 140708240
9-[4-[2-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]phenyl]-3-isocyanocarbazole
CID 155604073

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole?
The IUPAC name of 9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole (CID 140822457) is 9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole.
What is the SMILES notation for 9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole?
The canonical SMILES for 9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole is [C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1c([N+]#[C-])cc(-c2ccccc2)cc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole?
The InChIKey is ISWGJTNKYIIADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c1-45-32-22-25-43-38(28-32)36-16-8-11-19-42(36)48(43)44-37(26-31(27-39(44)46-2)29-12-4-3-5-13-29)30-20-23-33(24-21-30)47-40-17-9-6-14-34(40)35-15-7-10-18-41(35)47/h3-28H.
What are the key properties of 9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole?
9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole has a molecular weight of 610.72 g/mol, XLogP of 12.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole is sourced from PubChem (CID 140822457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).