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

C44H26N4 — CID 155603872

IUPAC9-[2-[4-(3-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]-2-isocyanocarbazole
SMILES[C-]#[N+]c1ccc2c3ccccc3n(-c3ccccc3-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4[N+]#[C-])cc3)c2c1
InChIInChI=1S/C44H26N4/c1-45-31-26-27-37-36-15-6-10-20-41(36)48(43(37)28-31)38-17-7-3-12-32(38)29-22-24-30(25-23-29)33-16-11-21-42(44(33)46-2)47-39-18-8-4-13-34(39)35-14-5-9-19-40(35)47/h3-28H
InChIKeyGGHLWNVZUPIEQF-UHFFFAOYSA-N
MW610.72 g/mol
LogP12.32
Rot. Bonds4

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

9-[2-[4-(3-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]-2-isocyanocarbazole (PubChem CID 155603872) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[2-[4-(3-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]-2-isocyanocarbazole.

Molecular Properties

Compound Name9-[2-[4-(3-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]-2-isocyanocarbazole
PubChem CID155603872
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[2-[4-(3-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]-2-isocyanocarbazole
SMILES[C-]#[N+]c1ccc2c3ccccc3n(-c3ccccc3-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4[N+]#[C-])cc3)c2c1
InChIInChI=1S/C44H26N4/c1-45-31-26-27-37-36-15-6-10-20-41(36)48(43(37)28-31)38-17-7-3-12-32(38)29-22-24-30(25-23-29)33-16-11-21-42(44(33)46-2)47-39-18-8-4-13-34(39)35-14-5-9-19-40(35)47/h3-28H
InChIKeyGGHLWNVZUPIEQF-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

1-carbazol-9-yl-9-[2-(4-isocyanophenyl)phenyl]carbazole
CID 140760204
5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(2-isocyanocarbazol-9-yl)benzonitrile
CID 155604772
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole
CID 159275273
3-carbazol-9-yl-5-[4-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile
CID 155604698
2-carbazol-9-yl-3-isocyano-4-[4-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile
CID 155603662
9-[4-[2-cyano-3-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603746
3-carbazol-9-yl-9-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 162702859
4-[2-(2-carbazol-9-ylphenyl)-6-isocyanocarbazol-9-yl]benzonitrile
CID 140760365
2-(3-carbazol-9-yl-2-isocyanophenyl)-5-(2-carbazol-9-ylphenyl)benzonitrile
CID 155603846
9-[3-(2-carbazol-9-ylphenyl)-5-phenylphenyl]-3-isocyanocarbazole
CID 167403954
9-[4-[2-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]phenyl]-3-isocyanocarbazole
CID 155604073
9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-3-isocyanocarbazole
CID 155604204

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(3-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]-2-isocyanocarbazole?
The IUPAC name of 9-[2-[4-(3-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]-2-isocyanocarbazole (CID 155603872) is 9-[2-[4-(3-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]-2-isocyanocarbazole.
What is the SMILES notation for 9-[2-[4-(3-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]-2-isocyanocarbazole?
The canonical SMILES for 9-[2-[4-(3-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]-2-isocyanocarbazole is [C-]#[N+]c1ccc2c3ccccc3n(-c3ccccc3-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4[N+]#[C-])cc3)c2c1.
What is the InChIKey of 9-[2-[4-(3-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]-2-isocyanocarbazole?
The InChIKey is GGHLWNVZUPIEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c1-45-31-26-27-37-36-15-6-10-20-41(36)48(43(37)28-31)38-17-7-3-12-32(38)29-22-24-30(25-23-29)33-16-11-21-42(44(33)46-2)47-39-18-8-4-13-34(39)35-14-5-9-19-40(35)47/h3-28H.
What are the key properties of 9-[2-[4-(3-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]-2-isocyanocarbazole?
9-[2-[4-(3-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]-2-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-(3-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]-2-isocyanocarbazole is sourced from PubChem (CID 155603872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).