2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine

C47H29NO — CID 89369609

IUPAC2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine
SMILESc1ccc(-c2ccc3c(c2)c2ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)nc2c2cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C47H29NO/c1-3-11-30(12-4-1)32-21-23-37-38-24-22-33(31-13-5-2-6-14-31)29-43(38)46-40(42(37)28-32)25-26-44(48-46)35-16-9-15-34(27-35)36-18-10-19-41-39-17-7-8-20-45(39)49-47(36)41/h1-29H
InChIKeyDSOLEHMANCEQCB-UHFFFAOYSA-N
MW623.76 g/mol
LogP13.11
Rot. Bonds4

About 2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine

2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine (PubChem CID 89369609) has the molecular formula C47H29NO and a molecular weight of 623.76 g/mol. Its IUPAC name is 2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine.

Molecular Properties

Compound Name2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine
PubChem CID89369609
Molecular FormulaC47H29NO
Molecular Weight623.76 g/mol
Exact Mass623.22
IUPAC Name2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine
SMILESc1ccc(-c2ccc3c(c2)c2ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)nc2c2cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C47H29NO/c1-3-11-30(12-4-1)32-21-23-37-38-24-22-33(31-13-5-2-6-14-31)29-43(38)46-40(42(37)28-32)25-26-44(48-46)35-16-9-15-34(27-35)36-18-10-19-41-39-17-7-8-20-45(39)49-47(36)41/h1-29H
InChIKeyDSOLEHMANCEQCB-UHFFFAOYSA-N
XLogP13.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 58410421
3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 129063498
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 171585514
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858424
3-[3-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-dinaphthalen-2-ylphenanthro[9,10-b]pyrazine
CID 129063494
3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine
CID 58410142
3-[3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063454
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063395
10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063662
3-[3-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063457
10-(3-dibenzofuran-4-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-dibenzofuran-4-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-dibenzofuran-4-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
CID 162190524
3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063442

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine?
The IUPAC name of 2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine (CID 89369609) is 2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine.
What is the SMILES notation for 2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine?
The canonical SMILES for 2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine is c1ccc(-c2ccc3c(c2)c2ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)nc2c2cc(-c4ccccc4)ccc32)cc1.
What is the InChIKey of 2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine?
The InChIKey is DSOLEHMANCEQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29NO/c1-3-11-30(12-4-1)32-21-23-37-38-24-22-33(31-13-5-2-6-14-31)29-43(38)46-40(42(37)28-32)25-26-44(48-46)35-16-9-15-34(27-35)36-18-10-19-41-39-17-7-8-20-45(39)49-47(36)41/h1-29H.
What are the key properties of 2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine?
2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine has a molecular weight of 623.76 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine is sourced from PubChem (CID 89369609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).