1-[4-(11,12-dihydrobenzo[c]phenanthridin-6-yl)-1-phenylimidazol-2-yl]dibenzofuran-2-ol

C38H25N3O2 — CID 171732489

IUPAC1-[4-(11,12-dihydrobenzo[c]phenanthridin-6-yl)-1-phenylimidazol-2-yl]dibenzofuran-2-ol
SMILESOc1ccc2oc3ccccc3c2c1-c1nc(-c2nc3c(c4ccccc24)CCc2ccccc2-3)cn1-c1ccccc1
InChIInChI=1S/C38H25N3O2/c42-31-20-21-33-34(29-16-8-9-17-32(29)43-33)35(31)38-39-30(22-41(38)24-11-2-1-3-12-24)37-27-15-7-6-14-26(27)28-19-18-23-10-4-5-13-25(23)36(28)40-37/h1-17,20-22,42H,18-19H2
InChIKeyRXWJPFUWUBOWNG-UHFFFAOYSA-N
MW555.64 g/mol
LogP9.13
Rot. Bonds3

About 1-[4-(11,12-dihydrobenzo[c]phenanthridin-6-yl)-1-phenylimidazol-2-yl]dibenzofuran-2-ol

1-[4-(11,12-dihydrobenzo[c]phenanthridin-6-yl)-1-phenylimidazol-2-yl]dibenzofuran-2-ol (PubChem CID 171732489) has the molecular formula C38H25N3O2 and a molecular weight of 555.64 g/mol. Its IUPAC name is 1-[4-(11,12-dihydrobenzo[c]phenanthridin-6-yl)-1-phenylimidazol-2-yl]dibenzofuran-2-ol.

Molecular Properties

Compound Name1-[4-(11,12-dihydrobenzo[c]phenanthridin-6-yl)-1-phenylimidazol-2-yl]dibenzofuran-2-ol
PubChem CID171732489
Molecular FormulaC38H25N3O2
Molecular Weight555.64 g/mol
Exact Mass555.19
IUPAC Name1-[4-(11,12-dihydrobenzo[c]phenanthridin-6-yl)-1-phenylimidazol-2-yl]dibenzofuran-2-ol
SMILESOc1ccc2oc3ccccc3c2c1-c1nc(-c2nc3c(c4ccccc24)CCc2ccccc2-3)cn1-c1ccccc1
InChIInChI=1S/C38H25N3O2/c42-31-20-21-33-34(29-16-8-9-17-32(29)43-33)35(31)38-39-30(22-41(38)24-11-2-1-3-12-24)37-27-15-7-6-14-26(27)28-19-18-23-10-4-5-13-25(23)36(28)40-37/h1-17,20-22,42H,18-19H2
InChIKeyRXWJPFUWUBOWNG-UHFFFAOYSA-N
XLogP9.13
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.64
LogP ≤ 59.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-dibenzofuran-2-yl-1-phenylimidazol-4-yl)-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171596669
2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171596739
2-[1-phenyl-4-(11,11,12,12-tetramethylbenzo[c]phenanthridin-6-yl)imidazol-2-yl]dibenzofuran-3-ol
CID 171732514
2-[2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171596701
4-dibenzofuran-2-yl-2-[1-[3,5-di(propan-2-yl)phenyl]-2-(8-phenyldibenzofuran-1-yl)imidazol-4-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol
CID 171596731
1-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-methylimidazol-2-yl]dibenzofuran-2-ol;platinum
CID 171420134
1-(12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaen-13-yl)naphthalen-2-ol
CID 137271237
6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene
CID 118655954
2-[1-(2,6-dimethylphenyl)-4-[1-[2-(3,5-dimethylphenyl)-6-phenylphenyl]dibenzofuran-3-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171734153
dibenzofuran-1-ol;2-(2-fluorophenyl)benzene-1,3-diol
CID 158363428
2-[1-(2,6-dimethylphenyl)-4-[1-(2,6-diphenylphenyl)dibenzofuran-3-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171734275
2-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 163578711

Frequently Asked Questions

What is the IUPAC name of 1-[4-(11,12-dihydrobenzo[c]phenanthridin-6-yl)-1-phenylimidazol-2-yl]dibenzofuran-2-ol?
The IUPAC name of 1-[4-(11,12-dihydrobenzo[c]phenanthridin-6-yl)-1-phenylimidazol-2-yl]dibenzofuran-2-ol (CID 171732489) is 1-[4-(11,12-dihydrobenzo[c]phenanthridin-6-yl)-1-phenylimidazol-2-yl]dibenzofuran-2-ol.
What is the SMILES notation for 1-[4-(11,12-dihydrobenzo[c]phenanthridin-6-yl)-1-phenylimidazol-2-yl]dibenzofuran-2-ol?
The canonical SMILES for 1-[4-(11,12-dihydrobenzo[c]phenanthridin-6-yl)-1-phenylimidazol-2-yl]dibenzofuran-2-ol is Oc1ccc2oc3ccccc3c2c1-c1nc(-c2nc3c(c4ccccc24)CCc2ccccc2-3)cn1-c1ccccc1.
What is the InChIKey of 1-[4-(11,12-dihydrobenzo[c]phenanthridin-6-yl)-1-phenylimidazol-2-yl]dibenzofuran-2-ol?
The InChIKey is RXWJPFUWUBOWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3O2/c42-31-20-21-33-34(29-16-8-9-17-32(29)43-33)35(31)38-39-30(22-41(38)24-11-2-1-3-12-24)37-27-15-7-6-14-26(27)28-19-18-23-10-4-5-13-25(23)36(28)40-37/h1-17,20-22,42H,18-19H2.
What are the key properties of 1-[4-(11,12-dihydrobenzo[c]phenanthridin-6-yl)-1-phenylimidazol-2-yl]dibenzofuran-2-ol?
1-[4-(11,12-dihydrobenzo[c]phenanthridin-6-yl)-1-phenylimidazol-2-yl]dibenzofuran-2-ol has a molecular weight of 555.64 g/mol, XLogP of 9.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(11,12-dihydrobenzo[c]phenanthridin-6-yl)-1-phenylimidazol-2-yl]dibenzofuran-2-ol is sourced from PubChem (CID 171732489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).