N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine

C48H31NO — CID 166939869

IUPACN-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5oc6c7ccccc7ccc6c45)c3)c3cccc4c3ccc3ccccc34)cc2)cc1
InChIInChI=1S/C48H31NO/c1-2-11-32(12-3-1)33-23-27-37(28-24-33)49(45-21-9-20-42-39-17-6-4-13-34(39)25-29-43(42)45)38-16-8-15-36(31-38)40-19-10-22-46-47(40)44-30-26-35-14-5-7-18-41(35)48(44)50-46/h1-31H
InChIKeyBFBNKSUJOVJGDQ-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.85
Rot. Bonds5

About N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine

N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine (PubChem CID 166939869) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine.

Molecular Properties

Compound NameN-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine
PubChem CID166939869
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC NameN-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5oc6c7ccccc7ccc6c45)c3)c3cccc4c3ccc3ccccc34)cc2)cc1
InChIInChI=1S/C48H31NO/c1-2-11-32(12-3-1)33-23-27-37(28-24-33)49(45-21-9-20-42-39-17-6-4-13-34(39)25-29-43(42)45)38-16-8-15-36(31-38)40-19-10-22-46-47(40)44-30-26-35-14-5-7-18-41(35)48(44)50-46/h1-31H
InChIKeyBFBNKSUJOVJGDQ-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.78
LogP ≤ 513.85
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-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 166939006
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
CID 167330924
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)chrysen-1-amine
CID 170137895
3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166939687
2-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-1-ylphenyl)aniline
CID 167330222
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 167277971
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-dibenzofuran-1-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737622
N-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 169007531
N-(4-naphthalen-2-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 167330723
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine
CID 170272446
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170272481

Frequently Asked Questions

What is the IUPAC name of N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine?
The IUPAC name of N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine (CID 166939869) is N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine.
What is the SMILES notation for N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine?
The canonical SMILES for N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine is c1ccc(-c2ccc(N(c3cccc(-c4cccc5oc6c7ccccc7ccc6c45)c3)c3cccc4c3ccc3ccccc34)cc2)cc1.
What is the InChIKey of N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine?
The InChIKey is BFBNKSUJOVJGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-2-11-32(12-3-1)33-23-27-37(28-24-33)49(45-21-9-20-42-39-17-6-4-13-34(39)25-29-43(42)45)38-16-8-15-36(31-38)40-19-10-22-46-47(40)44-30-26-35-14-5-7-18-41(35)48(44)50-46/h1-31H.
What are the key properties of N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine?
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine has a molecular weight of 637.78 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine is sourced from PubChem (CID 166939869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).