N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine

C58H37NO — CID 169064264

IUPACN-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)oc4c6ccccc6ccc54)ccc3c3ccccc23)cc1
InChIInChI=1S/C58H37NO/c1-3-16-41(17-4-1)56-52-24-12-11-23-49(52)50-34-31-44(36-54(50)57(56)42-18-5-2-6-19-42)59(43-29-26-40(27-30-43)47-25-13-20-38-14-7-9-21-46(38)47)45-32-35-51-53-33-28-39-15-8-10-22-48(39)58(53)60-55(51)37-45/h1-37H
InChIKeyCRIJUSNHOYFQEZ-UHFFFAOYSA-N
MW763.94 g/mol
LogP16.67
Rot. Bonds6

About N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine

N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 169064264) has the molecular formula C58H37NO and a molecular weight of 763.94 g/mol. Its IUPAC name is N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
PubChem CID169064264
Molecular FormulaC58H37NO
Molecular Weight763.94 g/mol
Exact Mass763.29
IUPAC NameN-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)oc4c6ccccc6ccc54)ccc3c3ccccc23)cc1
InChIInChI=1S/C58H37NO/c1-3-16-41(17-4-1)56-52-24-12-11-23-49(52)50-34-31-44(36-54(50)57(56)42-18-5-2-6-19-42)59(43-29-26-40(27-30-43)47-25-13-20-38-14-7-9-21-46(38)47)45-32-35-51-53-33-28-39-15-8-10-22-48(39)58(53)60-55(51)37-45/h1-37H
InChIKeyCRIJUSNHOYFQEZ-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-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169063299
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 169064583
N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine
CID 169064498
N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-3-amine
CID 167277575
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063182
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 169302137
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062420
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-phenyldibenzofuran-3-amine
CID 169302169
N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169063947
N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 139352524
N-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 169061749
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157

Frequently Asked Questions

What is the IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine (CID 169064264) is N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine is c1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)oc4c6ccccc6ccc54)ccc3c3ccccc23)cc1.
What is the InChIKey of N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is CRIJUSNHOYFQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO/c1-3-16-41(17-4-1)56-52-24-12-11-23-49(52)50-34-31-44(36-54(50)57(56)42-18-5-2-6-19-42)59(43-29-26-40(27-30-43)47-25-13-20-38-14-7-9-21-46(38)47)45-32-35-51-53-33-28-39-15-8-10-22-48(39)58(53)60-55(51)37-45/h1-37H.
What are the key properties of N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-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-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 169064264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).