N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine

C58H37NO — CID 169063299

IUPACN-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5oc6c7ccccc7ccc6c5c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C58H37NO/c1-3-16-41(17-4-1)56-51-24-12-11-23-49(51)50-34-31-44(37-54(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)45-32-35-55-53(36-45)52-33-28-39-15-8-10-22-48(39)58(52)60-55/h1-37H
InChIKeyLOROYINLMOOQMW-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-8-amine

N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 169063299) 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-8-amine.

Molecular Properties

Compound NameN-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
PubChem CID169063299
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-8-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5oc6c7ccccc7ccc6c5c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C58H37NO/c1-3-16-41(17-4-1)56-51-24-12-11-23-49(51)50-34-31-44(37-54(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)45-32-35-55-53(36-45)52-33-28-39-15-8-10-22-48(39)58(52)60-55/h1-37H
InChIKeyLOROYINLMOOQMW-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-9-amine
CID 169064264
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-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169007089
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167277322
N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yl-9,10-diphenylphenanthren-2-amine
CID 169064498
N-dibenzofuran-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-8-amine
CID 169285130
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-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062420
N-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 169061749
N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167277148
4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169063324

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-8-amine?
The IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine (CID 169063299) is N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine is c1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5oc6c7ccccc7ccc6c5c4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is LOROYINLMOOQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO/c1-3-16-41(17-4-1)56-51-24-12-11-23-49(51)50-34-31-44(37-54(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)45-32-35-55-53(36-45)52-33-28-39-15-8-10-22-48(39)58(52)60-55/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-8-amine?
N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-8-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-8-amine is sourced from PubChem (CID 169063299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).