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

C37H23N3 — CID 140760204

IUPAC1-carbazol-9-yl-9-[2-(4-isocyanophenyl)phenyl]carbazole
SMILES[C-]#[N+]c1ccc(-c2ccccc2-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)cc1
InChIInChI=1S/C37H23N3/c1-38-26-23-21-25(22-24-26)27-11-2-6-16-32(27)40-35-19-9-5-14-30(35)31-15-10-20-36(37(31)40)39-33-17-7-3-12-28(33)29-13-4-8-18-34(29)39/h2-24H
InChIKeyOKKOOFWHQMXZSJ-UHFFFAOYSA-N
MW509.61 g/mol
LogP10.10
Rot. Bonds3

About 1-carbazol-9-yl-9-[2-(4-isocyanophenyl)phenyl]carbazole

1-carbazol-9-yl-9-[2-(4-isocyanophenyl)phenyl]carbazole (PubChem CID 140760204) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 1-carbazol-9-yl-9-[2-(4-isocyanophenyl)phenyl]carbazole.

Molecular Properties

Compound Name1-carbazol-9-yl-9-[2-(4-isocyanophenyl)phenyl]carbazole
PubChem CID140760204
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name1-carbazol-9-yl-9-[2-(4-isocyanophenyl)phenyl]carbazole
SMILES[C-]#[N+]c1ccc(-c2ccccc2-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)cc1
InChIInChI=1S/C37H23N3/c1-38-26-23-21-25(22-24-26)27-11-2-6-16-32(27)40-35-19-9-5-14-30(35)31-15-10-20-36(37(31)40)39-33-17-7-3-12-28(33)29-13-4-8-18-34(29)39/h2-24H
InChIKeyOKKOOFWHQMXZSJ-UHFFFAOYSA-N
XLogP10.10
TPSA14.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 510.10
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-[4-(3-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]-2-isocyanocarbazole
CID 155603872
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole
CID 159275273
3-isocyano-9-(2-isocyanophenyl)-6-[9-(4-isocyanophenyl)carbazol-1-yl]carbazole
CID 140759921
3-carbazol-9-yl-9-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 162702859
1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 170660098
9-[2-(4-carbazol-9-ylphenyl)-3-(2-isocyanophenyl)phenyl]-3-isocyanocarbazole
CID 140822602
9-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanophenyl]-1-isocyanocarbazole
CID 155604807
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
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 1-carbazol-9-yl-9-[2-(4-isocyanophenyl)phenyl]carbazole?
The IUPAC name of 1-carbazol-9-yl-9-[2-(4-isocyanophenyl)phenyl]carbazole (CID 140760204) is 1-carbazol-9-yl-9-[2-(4-isocyanophenyl)phenyl]carbazole.
What is the SMILES notation for 1-carbazol-9-yl-9-[2-(4-isocyanophenyl)phenyl]carbazole?
The canonical SMILES for 1-carbazol-9-yl-9-[2-(4-isocyanophenyl)phenyl]carbazole is [C-]#[N+]c1ccc(-c2ccccc2-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)cc1.
What is the InChIKey of 1-carbazol-9-yl-9-[2-(4-isocyanophenyl)phenyl]carbazole?
The InChIKey is OKKOOFWHQMXZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c1-38-26-23-21-25(22-24-26)27-11-2-6-16-32(27)40-35-19-9-5-14-30(35)31-15-10-20-36(37(31)40)39-33-17-7-3-12-28(33)29-13-4-8-18-34(29)39/h2-24H.
What are the key properties of 1-carbazol-9-yl-9-[2-(4-isocyanophenyl)phenyl]carbazole?
1-carbazol-9-yl-9-[2-(4-isocyanophenyl)phenyl]carbazole has a molecular weight of 509.61 g/mol, XLogP of 10.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-9-[2-(4-isocyanophenyl)phenyl]carbazole is sourced from PubChem (CID 140760204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).