[4-[3-(methylamino)-1-tritylindazol-5-yl]phenyl]methanol

C34H29N3O — CID 170248340

IUPAC[4-[3-(methylamino)-1-tritylindazol-5-yl]phenyl]methanol
SMILESCNc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(-c3ccc(CO)cc3)cc12
InChIInChI=1S/C34H29N3O/c1-35-33-31-23-27(26-19-17-25(24-38)18-20-26)21-22-32(31)37(36-33)34(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-23,38H,24H2,1H3,(H,35,36)
InChIKeyAEZQKGWPRJQTKR-UHFFFAOYSA-N
MW495.63 g/mol
LogP7.08
Rot. Bonds7

About [4-[3-(methylamino)-1-tritylindazol-5-yl]phenyl]methanol

[4-[3-(methylamino)-1-tritylindazol-5-yl]phenyl]methanol (PubChem CID 170248340) has the molecular formula C34H29N3O and a molecular weight of 495.63 g/mol. Its IUPAC name is [4-[3-(methylamino)-1-tritylindazol-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-(methylamino)-1-tritylindazol-5-yl]phenyl]methanol
PubChem CID170248340
Molecular FormulaC34H29N3O
Molecular Weight495.63 g/mol
Exact Mass495.23
IUPAC Name[4-[3-(methylamino)-1-tritylindazol-5-yl]phenyl]methanol
SMILESCNc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(-c3ccc(CO)cc3)cc12
InChIInChI=1S/C34H29N3O/c1-35-33-31-23-27(26-19-17-25(24-38)18-20-26)21-22-32(31)37(36-33)34(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-23,38H,24H2,1H3,(H,35,36)
InChIKeyAEZQKGWPRJQTKR-UHFFFAOYSA-N
XLogP7.08
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

5-(2,6-dichlorophenyl)-N-methyl-1-tritylindazol-3-amine
CID 170248197
5-(2-chloro-6-fluorophenyl)-N-methyl-1-tritylindazol-3-amine
CID 169208454
N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tritylindazol-3-amine
CID 174124984
5-[5-(hydroxymethyl)-3-pyridinyl]-1-tritylindazole-3-carbaldehyde
CID 152624530
6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine
CID 118272406
N-(5-bromo-1-tritylindazol-3-yl)-3-(methylamino)cyclobutane-1-carboxamide
CID 169207989
N-[5-(2,6-dichlorophenyl)-1-tritylindazol-3-yl]-4-(dimethylamino)cyclohexane-1-carboxamide
CID 169208467
N-[5-[[2-[3-(dimethylamino)propoxy]-5-fluoropyrimidin-4-yl]amino]-1-tritylindazol-3-yl]-2-(4-phenylphenyl)acetamide
CID 142710440
9-(4-phenylphenyl)-3-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole
CID 158819686
9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole
CID 157272513
N-[5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1-tritylindazol-3-yl]-2-(4-chlorophenyl)acetamide
CID 142710453
9-phenyl-3-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]carbazole
CID 157272511

Frequently Asked Questions

What is the IUPAC name of [4-[3-(methylamino)-1-tritylindazol-5-yl]phenyl]methanol?
The IUPAC name of [4-[3-(methylamino)-1-tritylindazol-5-yl]phenyl]methanol (CID 170248340) is [4-[3-(methylamino)-1-tritylindazol-5-yl]phenyl]methanol.
What is the SMILES notation for [4-[3-(methylamino)-1-tritylindazol-5-yl]phenyl]methanol?
The canonical SMILES for [4-[3-(methylamino)-1-tritylindazol-5-yl]phenyl]methanol is CNc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(-c3ccc(CO)cc3)cc12.
What is the InChIKey of [4-[3-(methylamino)-1-tritylindazol-5-yl]phenyl]methanol?
The InChIKey is AEZQKGWPRJQTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N3O/c1-35-33-31-23-27(26-19-17-25(24-38)18-20-26)21-22-32(31)37(36-33)34(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-23,38H,24H2,1H3,(H,35,36).
What are the key properties of [4-[3-(methylamino)-1-tritylindazol-5-yl]phenyl]methanol?
[4-[3-(methylamino)-1-tritylindazol-5-yl]phenyl]methanol has a molecular weight of 495.63 g/mol, XLogP of 7.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(methylamino)-1-tritylindazol-5-yl]phenyl]methanol is sourced from PubChem (CID 170248340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).