3-(3-dibenzofuran-2-ylphenyl)-2-naphthalen-1-ylphenanthro[9,10-d]imidazole

C43H26N2O — CID 126500735

IUPAC3-(3-dibenzofuran-2-ylphenyl)-2-naphthalen-1-ylphenanthro[9,10-d]imidazole
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c(-c3cccc4ccccc34)nc3c4ccccc4c4ccccc4c32)c1
InChIInChI=1S/C43H26N2O/c1-2-15-31-27(11-1)12-10-21-37(31)43-44-41-35-19-5-3-16-32(35)33-17-4-6-20-36(33)42(41)45(43)30-14-9-13-28(25-30)29-23-24-40-38(26-29)34-18-7-8-22-39(34)46-40/h1-26H
InChIKeyWNGOLCSCEAMQNE-UHFFFAOYSA-N
MW586.69 g/mol
LogP11.72
Rot. Bonds3

About 3-(3-dibenzofuran-2-ylphenyl)-2-naphthalen-1-ylphenanthro[9,10-d]imidazole

3-(3-dibenzofuran-2-ylphenyl)-2-naphthalen-1-ylphenanthro[9,10-d]imidazole (PubChem CID 126500735) has the molecular formula C43H26N2O and a molecular weight of 586.69 g/mol. Its IUPAC name is 3-(3-dibenzofuran-2-ylphenyl)-2-naphthalen-1-ylphenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name3-(3-dibenzofuran-2-ylphenyl)-2-naphthalen-1-ylphenanthro[9,10-d]imidazole
PubChem CID126500735
Molecular FormulaC43H26N2O
Molecular Weight586.69 g/mol
Exact Mass586.20
IUPAC Name3-(3-dibenzofuran-2-ylphenyl)-2-naphthalen-1-ylphenanthro[9,10-d]imidazole
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c(-c3cccc4ccccc34)nc3c4ccccc4c4ccccc4c32)c1
InChIInChI=1S/C43H26N2O/c1-2-15-31-27(11-1)12-10-21-37(31)43-44-41-35-19-5-3-16-32(35)33-17-4-6-20-36(33)42(41)45(43)30-14-9-13-28(25-30)29-23-24-40-38(26-29)34-18-7-8-22-39(34)46-40/h1-26H
InChIKeyWNGOLCSCEAMQNE-UHFFFAOYSA-N
XLogP11.72
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.69
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine
CID 126500743
4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane
CID 142570608
14-(3-dibenzofuran-2-ylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene
CID 142397112
1,8-di(dibenzofuran-2-yl)-9-[4-(4-naphthalen-2-ylphenyl)phenyl]carbazole
CID 154970684
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 126494792
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
2-[3-(12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-7-phenylxanthen-9-one
CID 146175878
13-(3-dibenzofuran-2-ylphenyl)-17-phenyl-15-oxa-13,17-diazaheptacyclo[14.11.0.02,14.03,12.06,11.018,27.019,24]heptacosa-1(16),2(14),3(12),4,6,8,10,18(27),19,21,23,25-dodecaene
CID 155282102
9-(3-dibenzofuran-2-ylphenyl)-3-(6-phenanthren-9-yldibenzofuran-2-yl)carbazole
CID 121449285
12-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163673280
2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 126632171
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305806

Frequently Asked Questions

What is the IUPAC name of 3-(3-dibenzofuran-2-ylphenyl)-2-naphthalen-1-ylphenanthro[9,10-d]imidazole?
The IUPAC name of 3-(3-dibenzofuran-2-ylphenyl)-2-naphthalen-1-ylphenanthro[9,10-d]imidazole (CID 126500735) is 3-(3-dibenzofuran-2-ylphenyl)-2-naphthalen-1-ylphenanthro[9,10-d]imidazole.
What is the SMILES notation for 3-(3-dibenzofuran-2-ylphenyl)-2-naphthalen-1-ylphenanthro[9,10-d]imidazole?
The canonical SMILES for 3-(3-dibenzofuran-2-ylphenyl)-2-naphthalen-1-ylphenanthro[9,10-d]imidazole is c1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c(-c3cccc4ccccc34)nc3c4ccccc4c4ccccc4c32)c1.
What is the InChIKey of 3-(3-dibenzofuran-2-ylphenyl)-2-naphthalen-1-ylphenanthro[9,10-d]imidazole?
The InChIKey is WNGOLCSCEAMQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O/c1-2-15-31-27(11-1)12-10-21-37(31)43-44-41-35-19-5-3-16-32(35)33-17-4-6-20-36(33)42(41)45(43)30-14-9-13-28(25-30)29-23-24-40-38(26-29)34-18-7-8-22-39(34)46-40/h1-26H.
What are the key properties of 3-(3-dibenzofuran-2-ylphenyl)-2-naphthalen-1-ylphenanthro[9,10-d]imidazole?
3-(3-dibenzofuran-2-ylphenyl)-2-naphthalen-1-ylphenanthro[9,10-d]imidazole has a molecular weight of 586.69 g/mol, XLogP of 11.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-dibenzofuran-2-ylphenyl)-2-naphthalen-1-ylphenanthro[9,10-d]imidazole is sourced from PubChem (CID 126500735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).