4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine

C68H43NO — CID 177069852

IUPAC4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c3ccc(-c4cc5ccccc5c5ccccc45)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C68H43NO/c1-2-17-44(18-3-1)45-33-35-46(36-34-45)52-23-12-14-31-64(52)69(50-21-16-20-47(41-50)48-37-38-59-56-27-8-7-25-54(56)55-26-9-11-29-58(55)62(59)42-48)65-40-39-60(68-67(65)61-30-13-15-32-66(61)70-68)63-43-49-19-4-5-22-51(49)53-24-6-10-28-57(53)63/h1-43H
InChIKeyBSQFFIIPHQJQHO-UHFFFAOYSA-N
MW890.10 g/mol
LogP19.49
Rot. Bonds7

About 4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine

4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine (PubChem CID 177069852) has the molecular formula C68H43NO and a molecular weight of 890.10 g/mol. Its IUPAC name is 4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
PubChem CID177069852
Molecular FormulaC68H43NO
Molecular Weight890.10 g/mol
Exact Mass889.33
IUPAC Name4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c3ccc(-c4cc5ccccc5c5ccccc45)c4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C68H43NO/c1-2-17-44(18-3-1)45-33-35-46(36-34-45)52-23-12-14-31-64(52)69(50-21-16-20-47(41-50)48-37-38-59-56-27-8-7-25-54(56)55-26-9-11-29-58(55)62(59)42-48)65-40-39-60(68-67(65)61-30-13-15-32-66(61)70-68)63-43-49-19-4-5-22-51(49)53-24-6-10-28-57(53)63/h1-43H
InChIKeyBSQFFIIPHQJQHO-UHFFFAOYSA-N
XLogP19.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.10
LogP ≤ 519.49
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-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069853
4-phenanthren-9-yl-N-(4-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069305
N-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069217
N-(2,4-diphenylphenyl)-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069317
4-naphthalen-2-yl-N-[3-(2-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069190
4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069719
N-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069460
N-phenanthren-2-yl-N-(2-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820810
N-dibenzofuran-4-yl-4-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069363
4-naphthalen-2-yl-N-[2-(2-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069399
4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069333
4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069277

Frequently Asked Questions

What is the IUPAC name of 4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine (CID 177069852) is 4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c3ccc(-c4cc5ccccc5c5ccccc45)c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of 4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The InChIKey is BSQFFIIPHQJQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43NO/c1-2-17-44(18-3-1)45-33-35-46(36-34-45)52-23-12-14-31-64(52)69(50-21-16-20-47(41-50)48-37-38-59-56-27-8-7-25-54(56)55-26-9-11-29-58(55)62(59)42-48)65-40-39-60(68-67(65)61-30-13-15-32-66(61)70-68)63-43-49-19-4-5-22-51(49)53-24-6-10-28-57(53)63/h1-43H.
What are the key properties of 4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine has a molecular weight of 890.10 g/mol, XLogP of 19.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 177069852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).