4-methyl-2,6-bis(1H-phenanthro[9,10-d]imidazol-2-yl)phenol

C37H24N4O — CID 137292081

IUPAC4-methyl-2,6-bis(1H-phenanthro[9,10-d]imidazol-2-yl)phenol
SMILESCc1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(O)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1
InChIInChI=1S/C37H24N4O/c1-20-18-29(36-38-31-25-14-6-2-10-21(25)22-11-3-7-15-26(22)32(31)39-36)35(42)30(19-20)37-40-33-27-16-8-4-12-23(27)24-13-5-9-17-28(24)34(33)41-37/h2-19,42H,1H3,(H,38,39)(H,40,41)
InChIKeySPNDWDSMUVWZRZ-UHFFFAOYSA-N
MW540.63 g/mol
LogP9.40
Rot. Bonds2

About 4-methyl-2,6-bis(1H-phenanthro[9,10-d]imidazol-2-yl)phenol

4-methyl-2,6-bis(1H-phenanthro[9,10-d]imidazol-2-yl)phenol (PubChem CID 137292081) has the molecular formula C37H24N4O and a molecular weight of 540.63 g/mol. Its IUPAC name is 4-methyl-2,6-bis(1H-phenanthro[9,10-d]imidazol-2-yl)phenol.

Molecular Properties

Compound Name4-methyl-2,6-bis(1H-phenanthro[9,10-d]imidazol-2-yl)phenol
PubChem CID137292081
Molecular FormulaC37H24N4O
Molecular Weight540.63 g/mol
Exact Mass540.20
IUPAC Name4-methyl-2,6-bis(1H-phenanthro[9,10-d]imidazol-2-yl)phenol
SMILESCc1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(O)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1
InChIInChI=1S/C37H24N4O/c1-20-18-29(36-38-31-25-14-6-2-10-21(25)22-11-3-7-15-26(22)32(31)39-36)35(42)30(19-20)37-40-33-27-16-8-4-12-23(27)24-13-5-9-17-28(24)34(33)41-37/h2-19,42H,1H3,(H,38,39)(H,40,41)
InChIKeySPNDWDSMUVWZRZ-UHFFFAOYSA-N
XLogP9.40
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.63
LogP ≤ 59.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxy-(1,1'-biphenyl)-3-yl)-1H-1,3-benzodiazole-5-carboximidamide
CID 1504
2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benzodiazol-2-yl}-6-phenylbenzen-1-olate
CID 135559082
Phenol, 4,4'-[5,5'-bi-1H-benzimidazole]-2,2'-diylbis-
CID 449494
{amino[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-1,3-benzodiazol-5-yl]methylidene}azanium
CID 135559081
2-[5-(2-aminoethyl)-2-hydroxy-3-phenylphenyl]-3H-benzimidazole-5-carboximidamide
CID 447506
6-(1,3-Dihydrophenanthro[9,10-d]imidazol-2-ylidene)cyclohexa-2,4-dien-1-one
CID 332972
4-(5,10-diiodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol
CID 2846971
Cra_23653
CID 135559095
1-({[2-(1H-benzimidazol-2-yl)phenyl]imino}methyl)-2-naphthol
CID 1207297
2-Methyl-3H-phenanthro-(3,4-d)imidazol-10-ol
CID 152164
2-[2-(4-hydroxyphenyl)-1H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamidine
CID 485814
2-(4'-carbamimidoyl-4-hydroxy-biphenyl-3-yl)-1H-benzimidazole-5-carboxamidine acetate salt
CID 135430170

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis(1H-phenanthro[9,10-d]imidazol-2-yl)phenol?
The IUPAC name of 4-methyl-2,6-bis(1H-phenanthro[9,10-d]imidazol-2-yl)phenol (CID 137292081) is 4-methyl-2,6-bis(1H-phenanthro[9,10-d]imidazol-2-yl)phenol.
What is the SMILES notation for 4-methyl-2,6-bis(1H-phenanthro[9,10-d]imidazol-2-yl)phenol?
The canonical SMILES for 4-methyl-2,6-bis(1H-phenanthro[9,10-d]imidazol-2-yl)phenol is Cc1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(O)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1.
What is the InChIKey of 4-methyl-2,6-bis(1H-phenanthro[9,10-d]imidazol-2-yl)phenol?
The InChIKey is SPNDWDSMUVWZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4O/c1-20-18-29(36-38-31-25-14-6-2-10-21(25)22-11-3-7-15-26(22)32(31)39-36)35(42)30(19-20)37-40-33-27-16-8-4-12-23(27)24-13-5-9-17-28(24)34(33)41-37/h2-19,42H,1H3,(H,38,39)(H,40,41).
What are the key properties of 4-methyl-2,6-bis(1H-phenanthro[9,10-d]imidazol-2-yl)phenol?
4-methyl-2,6-bis(1H-phenanthro[9,10-d]imidazol-2-yl)phenol has a molecular weight of 540.63 g/mol, XLogP of 9.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(1H-phenanthro[9,10-d]imidazol-2-yl)phenol is sourced from PubChem (CID 137292081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).