1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]-phenylmethyl]-3-methylphenyl]diazenyl]naphthalen-2-ol

C41H32N4O2 — CID 136830279

IUPAC1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]-phenylmethyl]-3-methylphenyl]diazenyl]naphthalen-2-ol
SMILESCc1cc(/N=N/c2c(O)ccc3ccccc23)ccc1C(c1ccccc1)c1ccc(/N=N/c2c(O)ccc3ccccc23)cc1C
InChIInChI=1S/C41H32N4O2/c1-26-24-31(42-44-40-35-14-8-6-10-28(35)16-22-37(40)46)18-20-33(26)39(30-12-4-3-5-13-30)34-21-19-32(25-27(34)2)43-45-41-36-15-9-7-11-29(36)17-23-38(41)47/h3-25,39,46-47H,1-2H3/b44-42+,45-43+
InChIKeyOOAGAFLSIGOBCB-NIOMPGPNSA-N
MW612.73 g/mol
LogP12.03
Rot. Bonds7

About 1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]-phenylmethyl]-3-methylphenyl]diazenyl]naphthalen-2-ol

1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]-phenylmethyl]-3-methylphenyl]diazenyl]naphthalen-2-ol (PubChem CID 136830279) has the molecular formula C41H32N4O2 and a molecular weight of 612.73 g/mol. Its IUPAC name is 1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]-phenylmethyl]-3-methylphenyl]diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]-phenylmethyl]-3-methylphenyl]diazenyl]naphthalen-2-ol
PubChem CID136830279
Molecular FormulaC41H32N4O2
Molecular Weight612.73 g/mol
Exact Mass612.25
IUPAC Name1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]-phenylmethyl]-3-methylphenyl]diazenyl]naphthalen-2-ol
SMILESCc1cc(/N=N/c2c(O)ccc3ccccc23)ccc1C(c1ccccc1)c1ccc(/N=N/c2c(O)ccc3ccccc23)cc1C
InChIInChI=1S/C41H32N4O2/c1-26-24-31(42-44-40-35-14-8-6-10-28(35)16-22-37(40)46)18-20-33(26)39(30-12-4-3-5-13-30)34-21-19-32(25-27(34)2)43-45-41-36-15-9-7-11-29(36)17-23-38(41)47/h3-25,39,46-47H,1-2H3/b44-42+,45-43+
InChIKeyOOAGAFLSIGOBCB-NIOMPGPNSA-N
XLogP12.03
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.73
LogP ≤ 512.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]-phenylmethyl]-3-methylphenyl]diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]-phenylmethyl]-3-methylphenyl]diazenyl]naphthalen-2-ol (CID 136830279) is 1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]-phenylmethyl]-3-methylphenyl]diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]-phenylmethyl]-3-methylphenyl]diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]-phenylmethyl]-3-methylphenyl]diazenyl]naphthalen-2-ol is Cc1cc(/N=N/c2c(O)ccc3ccccc23)ccc1C(c1ccccc1)c1ccc(/N=N/c2c(O)ccc3ccccc23)cc1C.
What is the InChIKey of 1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]-phenylmethyl]-3-methylphenyl]diazenyl]naphthalen-2-ol?
The InChIKey is OOAGAFLSIGOBCB-NIOMPGPNSA-N. The full InChI is InChI=1S/C41H32N4O2/c1-26-24-31(42-44-40-35-14-8-6-10-28(35)16-22-37(40)46)18-20-33(26)39(30-12-4-3-5-13-30)34-21-19-32(25-27(34)2)43-45-41-36-15-9-7-11-29(36)17-23-38(41)47/h3-25,39,46-47H,1-2H3/b44-42+,45-43+.
What are the key properties of 1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]-phenylmethyl]-3-methylphenyl]diazenyl]naphthalen-2-ol?
1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]-phenylmethyl]-3-methylphenyl]diazenyl]naphthalen-2-ol has a molecular weight of 612.73 g/mol, XLogP of 12.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylphenyl]-phenylmethyl]-3-methylphenyl]diazenyl]naphthalen-2-ol is sourced from PubChem (CID 136830279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).