(1-benzyltriazol-4-yl)-cyclopenta-1,3-dien-1-yl-(9H-fluoren-9-yl)methanol

C28H23N3O — CID 139220281

IUPAC(1-benzyltriazol-4-yl)-cyclopenta-1,3-dien-1-yl-(9H-fluoren-9-yl)methanol
SMILESOC(C1=CC=CC1)(c1cn(Cc2ccccc2)nn1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H23N3O/c32-28(21-12-4-5-13-21,26-19-31(30-29-26)18-20-10-2-1-3-11-20)27-24-16-8-6-14-22(24)23-15-7-9-17-25(23)27/h1-12,14-17,19,27,32H,13,18H2
InChIKeySBHSJHJUUBQYOH-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.21
Rot. Bonds5

About (1-benzyltriazol-4-yl)-cyclopenta-1,3-dien-1-yl-(9H-fluoren-9-yl)methanol

(1-benzyltriazol-4-yl)-cyclopenta-1,3-dien-1-yl-(9H-fluoren-9-yl)methanol (PubChem CID 139220281) has the molecular formula C28H23N3O and a molecular weight of 417.51 g/mol. Its IUPAC name is (1-benzyltriazol-4-yl)-cyclopenta-1,3-dien-1-yl-(9H-fluoren-9-yl)methanol.

Molecular Properties

Compound Name(1-benzyltriazol-4-yl)-cyclopenta-1,3-dien-1-yl-(9H-fluoren-9-yl)methanol
PubChem CID139220281
Molecular FormulaC28H23N3O
Molecular Weight417.51 g/mol
Exact Mass417.18
IUPAC Name(1-benzyltriazol-4-yl)-cyclopenta-1,3-dien-1-yl-(9H-fluoren-9-yl)methanol
SMILESOC(C1=CC=CC1)(c1cn(Cc2ccccc2)nn1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H23N3O/c32-28(21-12-4-5-13-21,26-19-31(30-29-26)18-20-10-2-1-3-11-20)27-24-16-8-6-14-22(24)23-15-7-9-17-25(23)27/h1-12,14-17,19,27,32H,13,18H2
InChIKeySBHSJHJUUBQYOH-UHFFFAOYSA-N
XLogP5.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-bromophenyl)methyl]triazol-4-yl]-cyclopenta-1,3-dien-1-yl-phenylmethanol
CID 139220279
[1-[(4-bromophenyl)methyl]triazol-4-yl]-cyclopenta-1,3-dien-1-yl-(9H-fluoren-9-yl)methanol;cyclopenta-1,3-diene;iron(2+)
CID 139220282
tris(1-benzyltriazol-4-yl)methoxyphosphane
CID 70803193
2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol
CID 102031317
1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-1-phenylethanol
CID 139220303
1-benzyl-4-(2-phenylethyl)triazole
CID 56666792
tris(1-benzyltriazol-4-yl)methyl N-phosphanylcarbamate
CID 70803232
(1S)-1-(1-benzyltriazol-4-yl)ethanol
CID 75176225
1-benzyl-4-fluorotriazole
CID 102109152
1-benzyltriazole-4-carbonyl chloride
CID 87720228
1,4-dibenzyltriazole
CID 56663361
(E)-[2-(1-benzyltriazol-4-yl)propan-2-ylamino]-[2-(4-methoxyphenyl)cyclopenta-2,4-dien-1-ylidene]methanol
CID 164666498

Frequently Asked Questions

What is the IUPAC name of (1-benzyltriazol-4-yl)-cyclopenta-1,3-dien-1-yl-(9H-fluoren-9-yl)methanol?
The IUPAC name of (1-benzyltriazol-4-yl)-cyclopenta-1,3-dien-1-yl-(9H-fluoren-9-yl)methanol (CID 139220281) is (1-benzyltriazol-4-yl)-cyclopenta-1,3-dien-1-yl-(9H-fluoren-9-yl)methanol.
What is the SMILES notation for (1-benzyltriazol-4-yl)-cyclopenta-1,3-dien-1-yl-(9H-fluoren-9-yl)methanol?
The canonical SMILES for (1-benzyltriazol-4-yl)-cyclopenta-1,3-dien-1-yl-(9H-fluoren-9-yl)methanol is OC(C1=CC=CC1)(c1cn(Cc2ccccc2)nn1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of (1-benzyltriazol-4-yl)-cyclopenta-1,3-dien-1-yl-(9H-fluoren-9-yl)methanol?
The InChIKey is SBHSJHJUUBQYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O/c32-28(21-12-4-5-13-21,26-19-31(30-29-26)18-20-10-2-1-3-11-20)27-24-16-8-6-14-22(24)23-15-7-9-17-25(23)27/h1-12,14-17,19,27,32H,13,18H2.
What are the key properties of (1-benzyltriazol-4-yl)-cyclopenta-1,3-dien-1-yl-(9H-fluoren-9-yl)methanol?
(1-benzyltriazol-4-yl)-cyclopenta-1,3-dien-1-yl-(9H-fluoren-9-yl)methanol has a molecular weight of 417.51 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyltriazol-4-yl)-cyclopenta-1,3-dien-1-yl-(9H-fluoren-9-yl)methanol is sourced from PubChem (CID 139220281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).