N-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

C58H37NO — CID 169061749

IUPACN-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4cccc(-c5cccc6ccccc56)c4)c4cccc5c4oc4c6ccccc6ccc54)ccc3c3ccccc23)cc1
InChIInChI=1S/C58H37NO/c1-3-18-40(19-4-1)55-50-28-12-11-27-48(50)49-35-33-44(37-53(49)56(55)41-20-5-2-6-21-41)59(43-24-13-23-42(36-43)46-29-14-22-38-16-7-9-25-45(38)46)54-31-15-30-51-52-34-32-39-17-8-10-26-47(39)57(52)60-58(51)54/h1-37H
InChIKeyAUMCWDLOCTXZQQ-UHFFFAOYSA-N
MW763.94 g/mol
LogP16.67
Rot. Bonds6

About N-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

N-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 169061749) 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-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID169061749
Molecular FormulaC58H37NO
Molecular Weight763.94 g/mol
Exact Mass763.29
IUPAC NameN-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4cccc(-c5cccc6ccccc56)c4)c4cccc5c4oc4c6ccccc6ccc54)ccc3c3ccccc23)cc1
InChIInChI=1S/C58H37NO/c1-3-18-40(19-4-1)55-50-28-12-11-27-48(50)49-35-33-44(37-53(49)56(55)41-20-5-2-6-21-41)59(43-24-13-23-42(36-43)46-29-14-22-38-16-7-9-25-45(38)46)54-31-15-30-51-52-34-32-39-17-8-10-26-47(39)57(52)60-58(51)54/h1-37H
InChIKeyAUMCWDLOCTXZQQ-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-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 169062757
N-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063313
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 169064782
N-(3-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 169007710
N-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 166917437
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 169063295
N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 169064264
N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169063299
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062420
N-naphthalen-2-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063612
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine
CID 169061866
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 167277971

Frequently Asked Questions

What is the IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (CID 169061749) is N-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is c1ccc(-c2c(-c3ccccc3)c3cc(N(c4cccc(-c5cccc6ccccc56)c4)c4cccc5c4oc4c6ccccc6ccc54)ccc3c3ccccc23)cc1.
What is the InChIKey of N-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is AUMCWDLOCTXZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO/c1-3-18-40(19-4-1)55-50-28-12-11-27-48(50)49-35-33-44(37-53(49)56(55)41-20-5-2-6-21-41)59(43-24-13-23-42(36-43)46-29-14-22-38-16-7-9-25-45(38)46)54-31-15-30-51-52-34-32-39-17-8-10-26-47(39)57(52)60-58(51)54/h1-37H.
What are the key properties of N-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
N-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-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-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 169061749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).