9-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]carbazole

C37H23N3 — CID 169076296

IUPAC9-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]carbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C37H23N3/c1-38-32-23-22-25(39-33-17-7-2-12-26(33)27-13-3-8-18-34(27)39)24-31(32)30-16-6-11-21-37(30)40-35-19-9-4-14-28(35)29-15-5-10-20-36(29)40/h2-24H
InChIKeyULDNWVOYMVIHED-UHFFFAOYSA-N
MW509.61 g/mol
LogP10.10
Rot. Bonds3

About 9-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]carbazole

9-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]carbazole (PubChem CID 169076296) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 9-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]carbazole
PubChem CID169076296
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name9-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]carbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C37H23N3/c1-38-32-23-22-25(39-33-17-7-2-12-26(33)27-13-3-8-18-34(27)39)24-31(32)30-16-6-11-21-37(30)40-35-19-9-4-14-28(35)29-15-5-10-20-36(29)40/h2-24H
InChIKeyULDNWVOYMVIHED-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-[3-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]phenyl]carbazole
CID 155604969
9-[2-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155603633
9-[4-isocyano-3-[2-[2-(4-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604005
9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-4-isocyanophenyl]carbazole-3,5-dicarbonitrile
CID 155603674
3-carbazol-9-yl-2-(5-carbazol-9-yl-2-isocyanophenyl)benzonitrile
CID 169076205
9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155603918
9-[3-[3-(2-carbazol-9-ylphenyl)-5-cyanophenyl]-4-isocyanophenyl]carbazole-3-carbonitrile
CID 155605038
9-[3-[2-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]-4-isocyanophenyl]carbazole-3-carbonitrile
CID 155605099
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]phenyl]carbazole
CID 154603281
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3,6-diisocyanocarbazole
CID 159275273
9-[3-[3-(2-carbazol-9-yl-4-isocyanophenyl)-4-isocyanophenyl]phenyl]carbazole
CID 155605036
3-carbazol-9-yl-9-[2-[5-(3-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162103210

Frequently Asked Questions

What is the IUPAC name of 9-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]carbazole?
The IUPAC name of 9-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]carbazole (CID 169076296) is 9-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]carbazole.
What is the SMILES notation for 9-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]carbazole?
The canonical SMILES for 9-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]carbazole is [C-]#[N+]c1ccc(-n2c3ccccc3c3ccccc32)cc1-c1ccccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]carbazole?
The InChIKey is ULDNWVOYMVIHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c1-38-32-23-22-25(39-33-17-7-2-12-26(33)27-13-3-8-18-34(27)39)24-31(32)30-16-6-11-21-37(30)40-35-19-9-4-14-28(35)29-15-5-10-20-36(29)40/h2-24H.
What are the key properties of 9-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]carbazole?
9-[2-(5-carbazol-9-yl-2-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 9-[2-(5-carbazol-9-yl-2-isocyanophenyl)phenyl]carbazole is sourced from PubChem (CID 169076296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).