3-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenol;2-[4-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]ethanol;[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]methanol;3-[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]propan-1-ol;4-[6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-2,3-dihydro-1H-perimidin-2-yl]phenol

C153H128N30O5 — CID 158789332

IUPAC3-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenol;2-[4-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]ethanol;[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]methanol;3-[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]propan-1-ol;4-[6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-2,3-dihydro-1H-perimidin-2-yl]phenol
SMILESCC1(C)Nc2cccc3c(/N=N/c4ccc(/N=N/c5ccc(CCO)cc5)c5ccccc45)ccc(c23)N1.CC1(C)Nc2cccc3c(/N=N/c4ccc(/N=N/c5cccc(O)c5)c5ccccc45)ccc(c23)N1.CC1(CCCO)Nc2cccc3c(/N=N/c4ccc(/N=N/c5ccccc5)c5ccccc45)ccc(c23)N1.CC1(CO)Nc2cccc3c(/N=N/c4ccc(/N=N/c5ccccc5)c5ccccc45)ccc(c23)N1.Oc1ccc(C2Nc3cccc4c(/N=N/c5ccc(/N=N/c6ccccc6)c6ccccc56)ccc(c34)N2)cc1
InChIInChI=1S/C33H24N6O.2C31H28N6O.2C29H24N6O/c40-23-15-13-21(14-16-23)33-34-30-12-6-11-26-29(19-20-31(35-33)32(26)30)39-38-28-18-17-27(24-9-4-5-10-25(24)28)37-36-22-7-2-1-3-8-22;1-31(2)32-28-9-5-8-24-27(16-17-29(33-31)30(24)28)37-36-26-15-14-25(22-6-3-4-7-23(22)26)35-34-21-12-10-20(11-13-21)18-19-38;1-31(19-8-20-38)32-28-14-7-13-24-27(17-18-29(33-31)30(24)28)37-36-26-16-15-25(22-11-5-6-12-23(22)26)35-34-21-9-3-2-4-10-21;1-29(2)30-26-12-6-11-22-25(15-16-27(31-29)28(22)26)35-34-24-14-13-23(20-9-3-4-10-21(20)24)33-32-18-7-5-8-19(36)17-18;1-29(18-36)30-26-13-7-12-22-25(16-17-27(31-29)28(22)26)35-34-24-15-14-23(20-10-5-6-11-21(20)24)33-32-19-8-3-2-4-9-19/h1-20,33-35,40H;3-17,32-33,38H,18-19H2,1-2H3;2-7,9-18,32-33,38H,8,19-20H2,1H3;3-17,30-31,36H,1-2H3;2-17,30-31,36H,18H2,1H3/b37-36+,39-38+;2*35-34+,37-36+;2*33-32+,35-34+
InChIKeyISBOCPLPBOOKKV-HXBXRJPGSA-N
MW2466.91 g/mol
LogP45.62
Rot. Bonds27

About 3-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenol;2-[4-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]ethanol;[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]methanol;3-[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]propan-1-ol;4-[6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-2,3-dihydro-1H-perimidin-2-yl]phenol

3-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenol;2-[4-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]ethanol;[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]methanol;3-[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]propan-1-ol;4-[6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-2,3-dihydro-1H-perimidin-2-yl]phenol (PubChem CID 158789332) has the molecular formula C153H128N30O5 and a molecular weight of 2466.91 g/mol. Its IUPAC name is 3-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenol;2-[4-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]ethanol;[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]methanol;3-[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]propan-1-ol;4-[6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-2,3-dihydro-1H-perimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenol;2-[4-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]ethanol;[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]methanol;3-[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]propan-1-ol;4-[6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-2,3-dihydro-1H-perimidin-2-yl]phenol
PubChem CID158789332
Molecular FormulaC153H128N30O5
Molecular Weight2466.91 g/mol
Exact Mass2465.07
IUPAC Name3-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenol;2-[4-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]ethanol;[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]methanol;3-[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]propan-1-ol;4-[6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-2,3-dihydro-1H-perimidin-2-yl]phenol
SMILESCC1(C)Nc2cccc3c(/N=N/c4ccc(/N=N/c5ccc(CCO)cc5)c5ccccc45)ccc(c23)N1.CC1(C)Nc2cccc3c(/N=N/c4ccc(/N=N/c5cccc(O)c5)c5ccccc45)ccc(c23)N1.CC1(CCCO)Nc2cccc3c(/N=N/c4ccc(/N=N/c5ccccc5)c5ccccc45)ccc(c23)N1.CC1(CO)Nc2cccc3c(/N=N/c4ccc(/N=N/c5ccccc5)c5ccccc45)ccc(c23)N1.Oc1ccc(C2Nc3cccc4c(/N=N/c5ccc(/N=N/c6ccccc6)c6ccccc56)ccc(c34)N2)cc1
InChIInChI=1S/C33H24N6O.2C31H28N6O.2C29H24N6O/c40-23-15-13-21(14-16-23)33-34-30-12-6-11-26-29(19-20-31(35-33)32(26)30)39-38-28-18-17-27(24-9-4-5-10-25(24)28)37-36-22-7-2-1-3-8-22;1-31(2)32-28-9-5-8-24-27(16-17-29(33-31)30(24)28)37-36-26-15-14-25(22-6-3-4-7-23(22)26)35-34-21-12-10-20(11-13-21)18-19-38;1-31(19-8-20-38)32-28-14-7-13-24-27(17-18-29(33-31)30(24)28)37-36-26-16-15-25(22-11-5-6-12-23(22)26)35-34-21-9-3-2-4-10-21;1-29(2)30-26-12-6-11-22-25(15-16-27(31-29)28(22)26)35-34-24-14-13-23(20-9-3-4-10-21(20)24)33-32-18-7-5-8-19(36)17-18;1-29(18-36)30-26-13-7-12-22-25(16-17-27(31-29)28(22)26)35-34-24-15-14-23(20-10-5-6-11-21(20)24)33-32-19-8-3-2-4-9-19/h1-20,33-35,40H;3-17,32-33,38H,18-19H2,1-2H3;2-7,9-18,32-33,38H,8,19-20H2,1H3;3-17,30-31,36H,1-2H3;2-17,30-31,36H,18H2,1H3/b37-36+,39-38+;2*35-34+,37-36+;2*33-32+,35-34+
InChIKeyISBOCPLPBOOKKV-HXBXRJPGSA-N
XLogP45.62
TPSA468.65 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds27
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002466.91
LogP ≤ 545.62
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 3-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenol;2-[4-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]ethanol;[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]methanol;3-[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]propan-1-ol;4-[6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-2,3-dihydro-1H-perimidin-2-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenol;2-[4-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]ethanol;[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]methanol;3-[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]propan-1-ol;4-[6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-2,3-dihydro-1H-perimidin-2-yl]phenol?
The IUPAC name of 3-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenol;2-[4-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]ethanol;[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]methanol;3-[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]propan-1-ol;4-[6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-2,3-dihydro-1H-perimidin-2-yl]phenol (CID 158789332) is 3-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenol;2-[4-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]ethanol;[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]methanol;3-[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]propan-1-ol;4-[6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-2,3-dihydro-1H-perimidin-2-yl]phenol.
What is the SMILES notation for 3-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenol;2-[4-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]ethanol;[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]methanol;3-[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]propan-1-ol;4-[6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-2,3-dihydro-1H-perimidin-2-yl]phenol?
The canonical SMILES for 3-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenol;2-[4-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]ethanol;[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]methanol;3-[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]propan-1-ol;4-[6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-2,3-dihydro-1H-perimidin-2-yl]phenol is CC1(C)Nc2cccc3c(/N=N/c4ccc(/N=N/c5ccc(CCO)cc5)c5ccccc45)ccc(c23)N1.CC1(C)Nc2cccc3c(/N=N/c4ccc(/N=N/c5cccc(O)c5)c5ccccc45)ccc(c23)N1.CC1(CCCO)Nc2cccc3c(/N=N/c4ccc(/N=N/c5ccccc5)c5ccccc45)ccc(c23)N1.CC1(CO)Nc2cccc3c(/N=N/c4ccc(/N=N/c5ccccc5)c5ccccc45)ccc(c23)N1.Oc1ccc(C2Nc3cccc4c(/N=N/c5ccc(/N=N/c6ccccc6)c6ccccc56)ccc(c34)N2)cc1.
What is the InChIKey of 3-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenol;2-[4-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]ethanol;[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]methanol;3-[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]propan-1-ol;4-[6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-2,3-dihydro-1H-perimidin-2-yl]phenol?
The InChIKey is ISBOCPLPBOOKKV-HXBXRJPGSA-N. The full InChI is InChI=1S/C33H24N6O.2C31H28N6O.2C29H24N6O/c40-23-15-13-21(14-16-23)33-34-30-12-6-11-26-29(19-20-31(35-33)32(26)30)39-38-28-18-17-27(24-9-4-5-10-25(24)28)37-36-22-7-2-1-3-8-22;1-31(2)32-28-9-5-8-24-27(16-17-29(33-31)30(24)28)37-36-26-15-14-25(22-6-3-4-7-23(22)26)35-34-21-12-10-20(11-13-21)18-19-38;1-31(19-8-20-38)32-28-14-7-13-24-27(17-18-29(33-31)30(24)28)37-36-26-16-15-25(22-11-5-6-12-23(22)26)35-34-21-9-3-2-4-10-21;1-29(2)30-26-12-6-11-22-25(15-16-27(31-29)28(22)26)35-34-24-14-13-23(20-9-3-4-10-21(20)24)33-32-18-7-5-8-19(36)17-18;1-29(18-36)30-26-13-7-12-22-25(16-17-27(31-29)28(22)26)35-34-24-15-14-23(20-10-5-6-11-21(20)24)33-32-19-8-3-2-4-9-19/h1-20,33-35,40H;3-17,32-33,38H,18-19H2,1-2H3;2-7,9-18,32-33,38H,8,19-20H2,1H3;3-17,30-31,36H,1-2H3;2-17,30-31,36H,18H2,1H3/b37-36+,39-38+;2*35-34+,37-36+;2*33-32+,35-34+.
What are the key properties of 3-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenol;2-[4-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]ethanol;[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]methanol;3-[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]propan-1-ol;4-[6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-2,3-dihydro-1H-perimidin-2-yl]phenol?
3-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenol;2-[4-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]ethanol;[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]methanol;3-[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]propan-1-ol;4-[6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-2,3-dihydro-1H-perimidin-2-yl]phenol has a molecular weight of 2466.91 g/mol, XLogP of 45.62, 27 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenol;2-[4-[[4-[(2,2-dimethyl-1,3-dihydroperimidin-6-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]ethanol;[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]methanol;3-[2-methyl-6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-1,3-dihydroperimidin-2-yl]propan-1-ol;4-[6-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]-2,3-dihydro-1H-perimidin-2-yl]phenol is sourced from PubChem (CID 158789332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).