2-[4-[6-(2,6-diphenylphenyl)-2-pyridinyl]-1H-benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol

C43H30N4O — CID 171734185

IUPAC2-[4-[6-(2,6-diphenylphenyl)-2-pyridinyl]-1H-benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
SMILESOc1cccc2c1-c1nc(-c3nc4c(-c5cccc(-c6c(-c7ccccc7)cccc6-c6ccccc6)n5)cccc4[nH]3)ccc1CC2
InChIInChI=1S/C43H30N4O/c48-38-22-7-15-29-23-24-30-25-26-37(45-41(30)39(29)38)43-46-36-21-9-18-33(42(36)47-43)34-19-10-20-35(44-34)40-31(27-11-3-1-4-12-27)16-8-17-32(40)28-13-5-2-6-14-28/h1-22,25-26,48H,23-24H2,(H,46,47)
InChIKeyDRNWAKBFVDKUOV-UHFFFAOYSA-N
MW618.74 g/mol
LogP10.16
Rot. Bonds5

About 2-[4-[6-(2,6-diphenylphenyl)-2-pyridinyl]-1H-benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol

2-[4-[6-(2,6-diphenylphenyl)-2-pyridinyl]-1H-benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol (PubChem CID 171734185) has the molecular formula C43H30N4O and a molecular weight of 618.74 g/mol. Its IUPAC name is 2-[4-[6-(2,6-diphenylphenyl)-2-pyridinyl]-1H-benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol.

Molecular Properties

Compound Name2-[4-[6-(2,6-diphenylphenyl)-2-pyridinyl]-1H-benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
PubChem CID171734185
Molecular FormulaC43H30N4O
Molecular Weight618.74 g/mol
Exact Mass618.24
IUPAC Name2-[4-[6-(2,6-diphenylphenyl)-2-pyridinyl]-1H-benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
SMILESOc1cccc2c1-c1nc(-c3nc4c(-c5cccc(-c6c(-c7ccccc7)cccc6-c6ccccc6)n5)cccc4[nH]3)ccc1CC2
InChIInChI=1S/C43H30N4O/c48-38-22-7-15-29-23-24-30-25-26-37(45-41(30)39(29)38)43-46-36-21-9-18-33(42(36)47-43)34-19-10-20-35(44-34)40-31(27-11-3-1-4-12-27)16-8-17-32(40)28-13-5-2-6-14-28/h1-22,25-26,48H,23-24H2,(H,46,47)
InChIKeyDRNWAKBFVDKUOV-UHFFFAOYSA-N
XLogP10.16
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.74
LogP ≤ 510.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[6-(2,6-diphenylphenyl)-2-pyridinyl]-1H-benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol with MolForge

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Related Compounds

2-(2-hydroxy-(1,1'-biphenyl)-3-yl)-1H-1,3-benzodiazole-5-carboximidamide
CID 1504
{amino[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-1,3-benzodiazol-5-yl]methylidene}azanium
CID 135559081
6-(1,3-Dihydrophenanthro[9,10-d]imidazol-2-ylidene)cyclohexa-2,4-dien-1-one
CID 332972
1-[(1H-Benzimidazol-2-ylamino)methyl]-2-naphthol
CID 787416
2-[3-(5-fluoro-2-hydroxyphenyl)-2-hydroxyphenyl]-3H-benzimidazole-5-carboximidamide
CID 136094843
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-[[4-[5-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]iminomethyl]phenol
CID 135971383
2-(1-Hydroxy-naphthalen-2-yl)-1H-benzoimidazole-5-carboxamidine
CID 135490854
3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol
CID 781705
2-[2-(3-tert-butyl-2-hydroxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboximidamide
CID 135879384
3-(1H-benzoimidazol-2-yl)-biphenyl-2,2''-diol
CID 136094842

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(2,6-diphenylphenyl)-2-pyridinyl]-1H-benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?
The IUPAC name of 2-[4-[6-(2,6-diphenylphenyl)-2-pyridinyl]-1H-benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol (CID 171734185) is 2-[4-[6-(2,6-diphenylphenyl)-2-pyridinyl]-1H-benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol.
What is the SMILES notation for 2-[4-[6-(2,6-diphenylphenyl)-2-pyridinyl]-1H-benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?
The canonical SMILES for 2-[4-[6-(2,6-diphenylphenyl)-2-pyridinyl]-1H-benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol is Oc1cccc2c1-c1nc(-c3nc4c(-c5cccc(-c6c(-c7ccccc7)cccc6-c6ccccc6)n5)cccc4[nH]3)ccc1CC2.
What is the InChIKey of 2-[4-[6-(2,6-diphenylphenyl)-2-pyridinyl]-1H-benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?
The InChIKey is DRNWAKBFVDKUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N4O/c48-38-22-7-15-29-23-24-30-25-26-37(45-41(30)39(29)38)43-46-36-21-9-18-33(42(36)47-43)34-19-10-20-35(44-34)40-31(27-11-3-1-4-12-27)16-8-17-32(40)28-13-5-2-6-14-28/h1-22,25-26,48H,23-24H2,(H,46,47).
What are the key properties of 2-[4-[6-(2,6-diphenylphenyl)-2-pyridinyl]-1H-benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?
2-[4-[6-(2,6-diphenylphenyl)-2-pyridinyl]-1H-benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol has a molecular weight of 618.74 g/mol, XLogP of 10.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(2,6-diphenylphenyl)-2-pyridinyl]-1H-benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol is sourced from PubChem (CID 171734185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).