9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole

C44H26N4 — CID 140822602

IUPAC9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccccc2[N+]#[C-])c1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C44H26N4/c1-45-30-24-27-42-37(28-30)35-15-6-10-20-41(35)48(42)43-21-11-16-36(32-12-3-7-17-38(32)46-2)44(43)29-22-25-31(26-23-29)47-39-18-8-4-13-33(39)34-14-5-9-19-40(34)47/h3-28H
InChIKeyHGXIAOZLEXLAKC-UHFFFAOYSA-N
MW610.72 g/mol
LogP12.32
Rot. Bonds4

About 9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole

9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole (PubChem CID 140822602) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole.

Molecular Properties

Compound Name9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole
PubChem CID140822602
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccccc2[N+]#[C-])c1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C44H26N4/c1-45-30-24-27-42-37(28-30)35-15-6-10-20-41(35)48(42)43-21-11-16-36(32-12-3-7-17-38(32)46-2)44(43)29-22-25-31(26-23-29)47-39-18-8-4-13-33(39)34-14-5-9-19-40(34)47/h3-28H
InChIKeyHGXIAOZLEXLAKC-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-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole
CID 140759921
2-(4-carbazol-9-ylphenyl)-3-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155603947
3-(2-carbazol-9-ylphenyl)-2-[4-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155604462
3-(2-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole;4-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;3-isocyano-9-[2-[9-(2-isocyanophenyl)carbazol-3-yl]phenyl]carbazole;3-isocyano-9-[2-[9-(3-isocyanophenyl)carbazol-3-yl]phenyl]carbazole
CID 158074338
9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-1-isocyanocarbazole
CID 155604807
9-[4-[2-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]phenyl]-3-isocyanocarbazole
CID 155604073
3-carbazol-9-yl-9-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 162702859
9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-3-isocyanocarbazole
CID 155604204
1-(3-carbazol-9-ylphenyl)-6-isocyano-9-(2-isocyanophenyl)carbazole
CID 140760424
2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(3-isocyanocarbazol-9-yl)benzonitrile;3-carbazol-9-yl-9-[2-[3-isocyano-4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-isocyano-2-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 158231899
2-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole;4-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]carbazol-9-yl]benzonitrile;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(2-isocyanophenyl)carbazole;2-[2-(3-isocyanocarbazol-9-yl)phenyl]-9-(3-isocyanophenyl)carbazole
CID 158720848
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole
CID 159275273

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole?
The IUPAC name of 9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole (CID 140822602) is 9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole.
What is the SMILES notation for 9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole?
The canonical SMILES for 9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole is [C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccccc2[N+]#[C-])c1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole?
The InChIKey is HGXIAOZLEXLAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c1-45-30-24-27-42-37(28-30)35-15-6-10-20-41(35)48(42)43-21-11-16-36(32-12-3-7-17-38(32)46-2)44(43)29-22-25-31(26-23-29)47-39-18-8-4-13-33(39)34-14-5-9-19-40(34)47/h3-28H.
What are the key properties of 9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole?
9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-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)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole is sourced from PubChem (CID 140822602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).