9-[3-(benzotriazol-1-yl)-2,5-dimethylphenyl]-1,2-dihydrocarbazole

C26H22N4 — CID 134304070

IUPAC9-[3-(benzotriazol-1-yl)-2,5-dimethylphenyl]-1,2-dihydrocarbazole
SMILESCc1cc(-n2nnc3ccccc32)c(C)c(-n2c3c(c4ccccc42)C=CCC3)c1
InChIInChI=1S/C26H22N4/c1-17-15-25(18(2)26(16-17)30-24-14-8-5-11-21(24)27-28-30)29-22-12-6-3-9-19(22)20-10-4-7-13-23(20)29/h3-6,8-12,14-16H,7,13H2,1-2H3
InChIKeyVTYXDLAOKGIKPB-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.94
Rot. Bonds2

About 9-[3-(benzotriazol-1-yl)-2,5-dimethylphenyl]-1,2-dihydrocarbazole

9-[3-(benzotriazol-1-yl)-2,5-dimethylphenyl]-1,2-dihydrocarbazole (PubChem CID 134304070) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is 9-[3-(benzotriazol-1-yl)-2,5-dimethylphenyl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-[3-(benzotriazol-1-yl)-2,5-dimethylphenyl]-1,2-dihydrocarbazole
PubChem CID134304070
Molecular FormulaC26H22N4
Molecular Weight390.49 g/mol
Exact Mass390.18
IUPAC Name9-[3-(benzotriazol-1-yl)-2,5-dimethylphenyl]-1,2-dihydrocarbazole
SMILESCc1cc(-n2nnc3ccccc32)c(C)c(-n2c3c(c4ccccc42)C=CCC3)c1
InChIInChI=1S/C26H22N4/c1-17-15-25(18(2)26(16-17)30-24-14-8-5-11-21(24)27-28-30)29-22-12-6-3-9-19(22)20-10-4-7-13-23(20)29/h3-6,8-12,14-16H,7,13H2,1-2H3
InChIKeyVTYXDLAOKGIKPB-UHFFFAOYSA-N
XLogP5.94
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzotriazol-1-yl)-2,5-dimethylaniline
CID 175638112
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
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9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole
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9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole
CID 129215312
9-(1-propan-2-ylbenzimidazol-4-yl)-1,2-dihydrocarbazole
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9-(4-prop-1-en-2-ylphenyl)-1,2-dihydrocarbazole
CID 145237248
[4-(1,2-dihydrocarbazol-9-yl)phenyl]boronic acid
CID 154692123
9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole
CID 118698975
9-[6-[5-[2-(1,2-dihydrocarbazol-9-yl)-4-pyridinyl]-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-2-pyridinyl]carbazole
CID 70669820
1-(5,6-dimethyl-1H-inden-4-yl)benzotriazole
CID 118357568
[3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol
CID 70991147
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170

Frequently Asked Questions

What is the IUPAC name of 9-[3-(benzotriazol-1-yl)-2,5-dimethylphenyl]-1,2-dihydrocarbazole?
The IUPAC name of 9-[3-(benzotriazol-1-yl)-2,5-dimethylphenyl]-1,2-dihydrocarbazole (CID 134304070) is 9-[3-(benzotriazol-1-yl)-2,5-dimethylphenyl]-1,2-dihydrocarbazole.
What is the SMILES notation for 9-[3-(benzotriazol-1-yl)-2,5-dimethylphenyl]-1,2-dihydrocarbazole?
The canonical SMILES for 9-[3-(benzotriazol-1-yl)-2,5-dimethylphenyl]-1,2-dihydrocarbazole is Cc1cc(-n2nnc3ccccc32)c(C)c(-n2c3c(c4ccccc42)C=CCC3)c1.
What is the InChIKey of 9-[3-(benzotriazol-1-yl)-2,5-dimethylphenyl]-1,2-dihydrocarbazole?
The InChIKey is VTYXDLAOKGIKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4/c1-17-15-25(18(2)26(16-17)30-24-14-8-5-11-21(24)27-28-30)29-22-12-6-3-9-19(22)20-10-4-7-13-23(20)29/h3-6,8-12,14-16H,7,13H2,1-2H3.
What are the key properties of 9-[3-(benzotriazol-1-yl)-2,5-dimethylphenyl]-1,2-dihydrocarbazole?
9-[3-(benzotriazol-1-yl)-2,5-dimethylphenyl]-1,2-dihydrocarbazole has a molecular weight of 390.49 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(benzotriazol-1-yl)-2,5-dimethylphenyl]-1,2-dihydrocarbazole is sourced from PubChem (CID 134304070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).