9-(6-carbazol-9-yl-2-phenylbenzotriazol-4-yl)carbazole

C36H23N5 — CID 164740337

IUPAC9-(6-carbazol-9-yl-2-phenylbenzotriazol-4-yl)carbazole
SMILESc1ccc(-n2nc3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3n2)cc1
InChIInChI=1S/C36H23N5/c1-2-12-24(13-3-1)41-37-30-22-25(39-31-18-8-4-14-26(31)27-15-5-9-19-32(27)39)23-35(36(30)38-41)40-33-20-10-6-16-28(33)29-17-7-11-21-34(29)40/h1-23H
InChIKeyVNTJEKJOICSRHX-UHFFFAOYSA-N
MW525.62 g/mol
LogP8.61
Rot. Bonds3

About 9-(6-carbazol-9-yl-2-phenylbenzotriazol-4-yl)carbazole

9-(6-carbazol-9-yl-2-phenylbenzotriazol-4-yl)carbazole (PubChem CID 164740337) has the molecular formula C36H23N5 and a molecular weight of 525.62 g/mol. Its IUPAC name is 9-(6-carbazol-9-yl-2-phenylbenzotriazol-4-yl)carbazole.

Molecular Properties

Compound Name9-(6-carbazol-9-yl-2-phenylbenzotriazol-4-yl)carbazole
PubChem CID164740337
Molecular FormulaC36H23N5
Molecular Weight525.62 g/mol
Exact Mass525.20
IUPAC Name9-(6-carbazol-9-yl-2-phenylbenzotriazol-4-yl)carbazole
SMILESc1ccc(-n2nc3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3n2)cc1
InChIInChI=1S/C36H23N5/c1-2-12-24(13-3-1)41-37-30-22-25(39-31-18-8-4-14-26(31)27-15-5-9-19-32(27)39)23-35(36(30)38-41)40-33-20-10-6-16-28(33)29-17-7-11-21-34(29)40/h1-23H
InChIKeyVNTJEKJOICSRHX-UHFFFAOYSA-N
XLogP8.61
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.62
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(6-carbazol-9-yl-2-phenylbenzotriazol-4-yl)carbazole?
The IUPAC name of 9-(6-carbazol-9-yl-2-phenylbenzotriazol-4-yl)carbazole (CID 164740337) is 9-(6-carbazol-9-yl-2-phenylbenzotriazol-4-yl)carbazole.
What is the SMILES notation for 9-(6-carbazol-9-yl-2-phenylbenzotriazol-4-yl)carbazole?
The canonical SMILES for 9-(6-carbazol-9-yl-2-phenylbenzotriazol-4-yl)carbazole is c1ccc(-n2nc3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3n2)cc1.
What is the InChIKey of 9-(6-carbazol-9-yl-2-phenylbenzotriazol-4-yl)carbazole?
The InChIKey is VNTJEKJOICSRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N5/c1-2-12-24(13-3-1)41-37-30-22-25(39-31-18-8-4-14-26(31)27-15-5-9-19-32(27)39)23-35(36(30)38-41)40-33-20-10-6-16-28(33)29-17-7-11-21-34(29)40/h1-23H.
What are the key properties of 9-(6-carbazol-9-yl-2-phenylbenzotriazol-4-yl)carbazole?
9-(6-carbazol-9-yl-2-phenylbenzotriazol-4-yl)carbazole has a molecular weight of 525.62 g/mol, XLogP of 8.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-carbazol-9-yl-2-phenylbenzotriazol-4-yl)carbazole is sourced from PubChem (CID 164740337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).