2-dibenzofuran-2-yl-N-(2,4-diphenylphenyl)-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline

C62H41NO — CID 177274487

IUPAC2-dibenzofuran-2-yl-N-(2,4-diphenylphenyl)-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3-c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C62H41NO/c1-4-17-42(18-5-1)44-31-35-49(36-32-44)63(58-37-33-46(43-19-6-2-7-20-43)39-55(58)45-21-8-3-9-22-45)59-29-16-28-54(56-40-47-23-10-11-24-50(47)51-25-12-13-26-52(51)56)62(59)48-34-38-61-57(41-48)53-27-14-15-30-60(53)64-61/h1-41H
InChIKeyMUBHKKDIBNPBCV-UHFFFAOYSA-N
MW816.02 g/mol
LogP17.70
Rot. Bonds8

About 2-dibenzofuran-2-yl-N-(2,4-diphenylphenyl)-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline

2-dibenzofuran-2-yl-N-(2,4-diphenylphenyl)-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline (PubChem CID 177274487) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-N-(2,4-diphenylphenyl)-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-N-(2,4-diphenylphenyl)-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline
PubChem CID177274487
Molecular FormulaC62H41NO
Molecular Weight816.02 g/mol
Exact Mass815.32
IUPAC Name2-dibenzofuran-2-yl-N-(2,4-diphenylphenyl)-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3-c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C62H41NO/c1-4-17-42(18-5-1)44-31-35-49(36-32-44)63(58-37-33-46(43-19-6-2-7-20-43)39-55(58)45-21-8-3-9-22-45)59-29-16-28-54(56-40-47-23-10-11-24-50(47)51-25-12-13-26-52(51)56)62(59)48-34-38-61-57(41-48)53-27-14-15-30-60(53)64-61/h1-41H
InChIKeyMUBHKKDIBNPBCV-UHFFFAOYSA-N
XLogP17.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 517.70
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

N-(4-dibenzofuran-2-ylphenyl)-2-phenanthren-9-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 177274561
N-(4-dibenzofuran-1-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
CID 177274685
N-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274744
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 170665807
N-(4-dibenzofuran-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789235
N-(4-dibenzofuran-2-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170294764
2-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 170665979
N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069853
N-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069317
N-(4-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170294710
N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274970
N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170127479

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-N-(2,4-diphenylphenyl)-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-dibenzofuran-2-yl-N-(2,4-diphenylphenyl)-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline (CID 177274487) is 2-dibenzofuran-2-yl-N-(2,4-diphenylphenyl)-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-dibenzofuran-2-yl-N-(2,4-diphenylphenyl)-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-dibenzofuran-2-yl-N-(2,4-diphenylphenyl)-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3cccc(-c4cc5ccccc5c5ccccc45)c3-c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-N-(2,4-diphenylphenyl)-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline?
The InChIKey is MUBHKKDIBNPBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-4-17-42(18-5-1)44-31-35-49(36-32-44)63(58-37-33-46(43-19-6-2-7-20-43)39-55(58)45-21-8-3-9-22-45)59-29-16-28-54(56-40-47-23-10-11-24-50(47)51-25-12-13-26-52(51)56)62(59)48-34-38-61-57(41-48)53-27-14-15-30-60(53)64-61/h1-41H.
What are the key properties of 2-dibenzofuran-2-yl-N-(2,4-diphenylphenyl)-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline?
2-dibenzofuran-2-yl-N-(2,4-diphenylphenyl)-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline has a molecular weight of 816.02 g/mol, XLogP of 17.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-N-(2,4-diphenylphenyl)-3-phenanthren-9-yl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 177274487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).