N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-6-phenyldibenzofuran-1-amine

C60H39NO — CID 176810422

IUPACN-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-6-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2cccc3c2oc2cccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccc(-c5cccc6c5ccc5ccccc56)cc4)c23)cc1
InChIInChI=1S/C60H39NO/c1-2-12-43(13-3-1)53-21-10-23-56-59-57(24-11-25-58(59)62-60(53)56)61(48-37-32-46(33-38-48)52-20-9-22-54-51-18-7-5-15-44(51)34-39-55(52)54)47-35-30-41(31-36-47)40-26-28-45(29-27-40)50-19-8-16-42-14-4-6-17-49(42)50/h1-39H
InChIKeyXNOLSNUIRLMRKJ-UHFFFAOYSA-N
MW789.98 g/mol
LogP17.18
Rot. Bonds7

About N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-6-phenyldibenzofuran-1-amine

N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-6-phenyldibenzofuran-1-amine (PubChem CID 176810422) has the molecular formula C60H39NO and a molecular weight of 789.98 g/mol. Its IUPAC name is N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-6-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-6-phenyldibenzofuran-1-amine
PubChem CID176810422
Molecular FormulaC60H39NO
Molecular Weight789.98 g/mol
Exact Mass789.30
IUPAC NameN-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-6-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2cccc3c2oc2cccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccc(-c5cccc6c5ccc5ccccc56)cc4)c23)cc1
InChIInChI=1S/C60H39NO/c1-2-12-43(13-3-1)53-21-10-23-56-59-57(24-11-25-58(59)62-60(53)56)61(48-37-32-46(33-38-48)52-20-9-22-54-51-18-7-5-15-44(51)34-39-55(52)54)47-35-30-41(31-36-47)40-26-28-45(29-27-40)50-19-8-16-42-14-4-6-17-49(42)50/h1-39H
InChIKeyXNOLSNUIRLMRKJ-UHFFFAOYSA-N
XLogP17.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.98
LogP ≤ 517.18
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-chrysen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 170140625
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167397469
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 167277337
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737788
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737921
N-(4-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810677
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 167277971
N-phenanthren-1-yl-N-(6-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820912
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738577
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163945137
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-4-amine
CID 135271698
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739651

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-6-phenyldibenzofuran-1-amine?
The IUPAC name of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-6-phenyldibenzofuran-1-amine (CID 176810422) is N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-6-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-6-phenyldibenzofuran-1-amine?
The canonical SMILES for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-6-phenyldibenzofuran-1-amine is c1ccc(-c2cccc3c2oc2cccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccc(-c5cccc6c5ccc5ccccc56)cc4)c23)cc1.
What is the InChIKey of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-6-phenyldibenzofuran-1-amine?
The InChIKey is XNOLSNUIRLMRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO/c1-2-12-43(13-3-1)53-21-10-23-56-59-57(24-11-25-58(59)62-60(53)56)61(48-37-32-46(33-38-48)52-20-9-22-54-51-18-7-5-15-44(51)34-39-55(52)54)47-35-30-41(31-36-47)40-26-28-45(29-27-40)50-19-8-16-42-14-4-6-17-49(42)50/h1-39H.
What are the key properties of N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-6-phenyldibenzofuran-1-amine?
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-6-phenyldibenzofuran-1-amine has a molecular weight of 789.98 g/mol, XLogP of 17.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-6-phenyldibenzofuran-1-amine is sourced from PubChem (CID 176810422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).