N-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-amine

C58H37NO — CID 169007480

IUPACN-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)c4ccccc34)c3cccc4oc5c6ccccc6ccc5c34)cc2-c2ccccc2)cc1
InChIInChI=1S/C58H37NO/c1-3-16-38(17-4-1)44-33-31-42(37-52(44)39-18-5-2-6-19-39)59(55-28-15-29-56-57(55)51-32-30-40-20-7-10-23-45(40)58(51)60-56)54-35-34-49(47-25-13-14-27-50(47)54)53-36-41-21-8-9-22-43(41)46-24-11-12-26-48(46)53/h1-37H
InChIKeyLOKAADROLRKRMY-UHFFFAOYSA-N
MW763.94 g/mol
LogP16.67
Rot. Bonds6

About N-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-amine

N-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 169007480) has the molecular formula C58H37NO and a molecular weight of 763.94 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID169007480
Molecular FormulaC58H37NO
Molecular Weight763.94 g/mol
Exact Mass763.29
IUPAC NameN-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)c4ccccc34)c3cccc4oc5c6ccccc6ccc5c34)cc2-c2ccccc2)cc1
InChIInChI=1S/C58H37NO/c1-3-16-38(17-4-1)44-33-31-42(37-52(44)39-18-5-2-6-19-39)59(55-28-15-29-56-57(55)51-32-30-40-20-7-10-23-45(40)58(51)60-56)54-35-34-49(47-25-13-14-27-50(47)54)53-36-41-21-8-9-22-43(41)46-24-11-12-26-48(46)53/h1-37H
InChIKeyLOKAADROLRKRMY-UHFFFAOYSA-N
XLogP16.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.94
LogP ≤ 516.67
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-(3-naphthalen-2-yl-4-phenylphenyl)-N-[2-(2-phenanthren-9-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 169007541
N-(3,4-diphenylphenyl)-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821447
N-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 169007147
N-phenanthren-2-yl-6-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]dibenzofuran-1-amine
CID 176821436
N-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 169007531
N-[4-(2,4-diphenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737688
N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)carbazol-3-amine
CID 163555827
N-[4-(2,5-diphenylphenyl)phenyl]-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176820885
N-(3,5-diphenylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738007
N-(4-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167277413
N-[4-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820707
N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739276

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-amine (CID 169007480) is N-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)c4ccccc34)c3cccc4oc5c6ccccc6ccc5c34)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is LOKAADROLRKRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO/c1-3-16-38(17-4-1)44-33-31-42(37-52(44)39-18-5-2-6-19-39)59(55-28-15-29-56-57(55)51-32-30-40-20-7-10-23-45(40)58(51)60-56)54-35-34-49(47-25-13-14-27-50(47)54)53-36-41-21-8-9-22-43(41)46-24-11-12-26-48(46)53/h1-37H.
What are the key properties of N-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-amine?
N-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 763.94 g/mol, XLogP of 16.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 169007480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).