4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine

C56H35NO — CID 176820935

IUPAC4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5ccc6ccc7ccccc7c6c5)cc4)c4ccc5ccc6ccccc6c5c4)c4c3oc3ccccc34)cccc2c1
InChIInChI=1S/C56H35NO/c1-4-14-45-37(10-1)13-9-18-48(45)49-32-33-53(55-50-17-7-8-19-54(50)58-56(49)55)57(44-31-28-41-23-21-39-12-3-6-16-47(39)52(41)35-44)43-29-26-36(27-30-43)42-25-24-40-22-20-38-11-2-5-15-46(38)51(40)34-42/h1-35H
InChIKeyZKPPWWZYDSMZIO-UHFFFAOYSA-N
MW737.90 g/mol
LogP16.16
Rot. Bonds5

About 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine

4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine (PubChem CID 176820935) has the molecular formula C56H35NO and a molecular weight of 737.90 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine
PubChem CID176820935
Molecular FormulaC56H35NO
Molecular Weight737.90 g/mol
Exact Mass737.27
IUPAC Name4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5ccc6ccc7ccccc7c6c5)cc4)c4ccc5ccc6ccccc6c5c4)c4c3oc3ccccc34)cccc2c1
InChIInChI=1S/C56H35NO/c1-4-14-45-37(10-1)13-9-18-48(45)49-32-33-53(55-50-17-7-8-19-54(50)58-56(49)55)57(44-31-28-41-23-21-39-12-3-6-16-47(39)52(41)35-44)43-29-26-36(27-30-43)42-25-24-40-22-20-38-11-2-5-15-46(38)51(40)34-42/h1-35H
InChIKeyZKPPWWZYDSMZIO-UHFFFAOYSA-N
XLogP16.16
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.90
LogP ≤ 516.16
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

4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069719
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine
CID 176820794
N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 176820694
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821403
4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine
CID 176820492
N-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-1-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821320
4-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069895
N-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
CID 176821102
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848086
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820785
4-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069623
N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847874

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine (CID 176820935) is 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine is c1ccc2c(-c3ccc(N(c4ccc(-c5ccc6ccc7ccccc7c6c5)cc4)c4ccc5ccc6ccccc6c5c4)c4c3oc3ccccc34)cccc2c1.
What is the InChIKey of 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine?
The InChIKey is ZKPPWWZYDSMZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO/c1-4-14-45-37(10-1)13-9-18-48(45)49-32-33-53(55-50-17-7-8-19-54(50)58-56(49)55)57(44-31-28-41-23-21-39-12-3-6-16-47(39)52(41)35-44)43-29-26-36(27-30-43)42-25-24-40-22-20-38-11-2-5-15-46(38)51(40)34-42/h1-35H.
What are the key properties of 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine?
4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine has a molecular weight of 737.90 g/mol, XLogP of 16.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176820935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).