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

C44H26N4 — CID 155605036

IUPAC9-[3-[3-(2-carbazol-9-yl-4-isocyanophenyl)-4-isocyanophenyl]phenyl]carbazole
SMILES[C-]#[N+]c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc2[N+]#[C-])c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H26N4/c1-45-31-23-24-37(44(28-31)48-42-20-9-5-16-35(42)36-17-6-10-21-43(36)48)38-27-30(22-25-39(38)46-2)29-12-11-13-32(26-29)47-40-18-7-3-14-33(40)34-15-4-8-19-41(34)47/h3-28H
InChIKeyNDYZIIQNMZWWQU-UHFFFAOYSA-N
MW610.72 g/mol
LogP12.32
Rot. Bonds4

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

9-[3-[3-(2-carbazol-9-yl-4-isocyanophenyl)-4-isocyanophenyl]phenyl]carbazole (PubChem CID 155605036) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 9-[3-[3-(2-carbazol-9-yl-4-isocyanophenyl)-4-isocyanophenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[3-(2-carbazol-9-yl-4-isocyanophenyl)-4-isocyanophenyl]phenyl]carbazole
PubChem CID155605036
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name9-[3-[3-(2-carbazol-9-yl-4-isocyanophenyl)-4-isocyanophenyl]phenyl]carbazole
SMILES[C-]#[N+]c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc2[N+]#[C-])c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H26N4/c1-45-31-23-24-37(44(28-31)48-42-20-9-5-16-35(42)36-17-6-10-21-43(36)48)38-27-30(22-25-39(38)46-2)29-12-11-13-32(26-29)47-40-18-7-3-14-33(40)34-15-4-8-19-41(34)47/h3-28H
InChIKeyNDYZIIQNMZWWQU-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

9-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-3-isocyanocarbazole
CID 155604945
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-4-isocyanocarbazole
CID 155603973
9-[5-isocyano-2-[4-[3-(4-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603678
9-[2-[6-(3-carbazol-9-ylphenyl)-2,3-diisocyanophenyl]phenyl]-3-isocyanocarbazole
CID 155603778
9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-1-isocyanocarbazole
CID 155604807
9-[3-[2-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]-4-isocyanophenyl]carbazole-3-carbonitrile
CID 155605099
9-[5-isocyano-2-[3-[3-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155603946
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
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile
CID 155604610
9-[3-[3-[4-isocyano-2-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604708

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-(2-carbazol-9-yl-4-isocyanophenyl)-4-isocyanophenyl]phenyl]carbazole?
The IUPAC name of 9-[3-[3-(2-carbazol-9-yl-4-isocyanophenyl)-4-isocyanophenyl]phenyl]carbazole (CID 155605036) is 9-[3-[3-(2-carbazol-9-yl-4-isocyanophenyl)-4-isocyanophenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[3-(2-carbazol-9-yl-4-isocyanophenyl)-4-isocyanophenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[3-(2-carbazol-9-yl-4-isocyanophenyl)-4-isocyanophenyl]phenyl]carbazole is [C-]#[N+]c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc2[N+]#[C-])c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-[3-(2-carbazol-9-yl-4-isocyanophenyl)-4-isocyanophenyl]phenyl]carbazole?
The InChIKey is NDYZIIQNMZWWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c1-45-31-23-24-37(44(28-31)48-42-20-9-5-16-35(42)36-17-6-10-21-43(36)48)38-27-30(22-25-39(38)46-2)29-12-11-13-32(26-29)47-40-18-7-3-14-33(40)34-15-4-8-19-41(34)47/h3-28H.
What are the key properties of 9-[3-[3-(2-carbazol-9-yl-4-isocyanophenyl)-4-isocyanophenyl]phenyl]carbazole?
9-[3-[3-(2-carbazol-9-yl-4-isocyanophenyl)-4-isocyanophenyl]phenyl]carbazole 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-[3-[3-(2-carbazol-9-yl-4-isocyanophenyl)-4-isocyanophenyl]phenyl]carbazole is sourced from PubChem (CID 155605036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).