2-[4-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyridine

C47H29NO — CID 89369665

IUPAC2-[4-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyridine
SMILESc1ccc(-c2ccc3oc4c(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7n6)cc5)cc(-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C47H29NO/c1-3-11-30(12-4-1)34-23-26-45-42(27-34)43-29-35(31-13-5-2-6-14-31)28-41(47(43)49-45)32-19-21-33(22-20-32)44-25-24-40-38-17-8-7-15-36(38)37-16-9-10-18-39(37)46(40)48-44/h1-29H
InChIKeyMXFTXXUFZHMWOO-UHFFFAOYSA-N
MW623.76 g/mol
LogP13.11
Rot. Bonds4

About 2-[4-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyridine

2-[4-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyridine (PubChem CID 89369665) has the molecular formula C47H29NO and a molecular weight of 623.76 g/mol. Its IUPAC name is 2-[4-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyridine.

Molecular Properties

Compound Name2-[4-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyridine
PubChem CID89369665
Molecular FormulaC47H29NO
Molecular Weight623.76 g/mol
Exact Mass623.22
IUPAC Name2-[4-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyridine
SMILESc1ccc(-c2ccc3oc4c(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7n6)cc5)cc(-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C47H29NO/c1-3-11-30(12-4-1)34-23-26-45-42(27-34)43-29-35(31-13-5-2-6-14-31)28-41(47(43)49-45)32-19-21-33(22-20-32)44-25-24-40-38-17-8-7-15-36(38)37-16-9-10-18-39(37)46(40)48-44/h1-29H
InChIKeyMXFTXXUFZHMWOO-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'}

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Related Compounds

3-[4-[2-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425374
3-[2,6-bis(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89475732
2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine
CID 89369609
3-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425358
6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89417071
2,4-diphenyl-6-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-4-yl]phenyl]pyrimidine
CID 153289566
4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyrimidine
CID 166952923
3-[3-[2,8-bis(2-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 89425272
2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline
CID 90049902
2-[4-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332183
2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496784
4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline
CID 130208140

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyridine?
The IUPAC name of 2-[4-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyridine (CID 89369665) is 2-[4-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyridine.
What is the SMILES notation for 2-[4-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyridine?
The canonical SMILES for 2-[4-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyridine is c1ccc(-c2ccc3oc4c(-c5ccc(-c6ccc7c8ccccc8c8ccccc8c7n6)cc5)cc(-c5ccccc5)cc4c3c2)cc1.
What is the InChIKey of 2-[4-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyridine?
The InChIKey is MXFTXXUFZHMWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29NO/c1-3-11-30(12-4-1)34-23-26-45-42(27-34)43-29-35(31-13-5-2-6-14-31)28-41(47(43)49-45)32-19-21-33(22-20-32)44-25-24-40-38-17-8-7-15-36(38)37-16-9-10-18-39(37)46(40)48-44/h1-29H.
What are the key properties of 2-[4-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyridine?
2-[4-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[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-[4-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyridine is sourced from PubChem (CID 89369665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).