N-phenyl-N-(4-phenylphenyl)-8-[phenyl-(2-phenylphenyl)methyl]naphtho[2,1-b][1]benzofuran-9-amine

C53H37NO — CID 169293370

IUPACN-phenyl-N-(4-phenylphenyl)-8-[phenyl-(2-phenylphenyl)methyl]naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(oc5ccc6ccccc6c54)c3C(c3ccccc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C53H37NO/c1-5-17-37(18-6-1)38-29-32-43(33-30-38)54(42-24-11-4-12-25-42)48-35-34-47-51-45-27-14-13-21-40(45)31-36-49(51)55-53(47)52(48)50(41-22-9-3-10-23-41)46-28-16-15-26-44(46)39-19-7-2-8-20-39/h1-36,50H
InChIKeyIXBOGDZXZQBKEE-UHFFFAOYSA-N
MW703.89 g/mol
LogP14.72
Rot. Bonds8

About N-phenyl-N-(4-phenylphenyl)-8-[phenyl-(2-phenylphenyl)methyl]naphtho[2,1-b][1]benzofuran-9-amine

N-phenyl-N-(4-phenylphenyl)-8-[phenyl-(2-phenylphenyl)methyl]naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 169293370) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)-8-[phenyl-(2-phenylphenyl)methyl]naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)-8-[phenyl-(2-phenylphenyl)methyl]naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID169293370
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC NameN-phenyl-N-(4-phenylphenyl)-8-[phenyl-(2-phenylphenyl)methyl]naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(oc5ccc6ccccc6c54)c3C(c3ccccc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C53H37NO/c1-5-17-37(18-6-1)38-29-32-43(33-30-38)54(42-24-11-4-12-25-42)48-35-34-47-51-45-27-14-13-21-40(45)31-36-49(51)55-53(47)52(48)50(41-22-9-3-10-23-41)46-28-16-15-26-44(46)39-19-7-2-8-20-39/h1-36,50H
InChIKeyIXBOGDZXZQBKEE-UHFFFAOYSA-N
XLogP14.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

8-N,9-N,9-N-triphenyl-8-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine
CID 166856528
N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 169285534
N,7-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170675342
9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine
CID 166856280
N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290124
N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289750
4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline
CID 170031129
N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289869
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167331276
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 167330365
2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167331209
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170031195

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)-8-[phenyl-(2-phenylphenyl)methyl]naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)-8-[phenyl-(2-phenylphenyl)methyl]naphtho[2,1-b][1]benzofuran-9-amine (CID 169293370) is N-phenyl-N-(4-phenylphenyl)-8-[phenyl-(2-phenylphenyl)methyl]naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)-8-[phenyl-(2-phenylphenyl)methyl]naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)-8-[phenyl-(2-phenylphenyl)methyl]naphtho[2,1-b][1]benzofuran-9-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(oc5ccc6ccccc6c54)c3C(c3ccccc3)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)-8-[phenyl-(2-phenylphenyl)methyl]naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is IXBOGDZXZQBKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-5-17-37(18-6-1)38-29-32-43(33-30-38)54(42-24-11-4-12-25-42)48-35-34-47-51-45-27-14-13-21-40(45)31-36-49(51)55-53(47)52(48)50(41-22-9-3-10-23-41)46-28-16-15-26-44(46)39-19-7-2-8-20-39/h1-36,50H.
What are the key properties of N-phenyl-N-(4-phenylphenyl)-8-[phenyl-(2-phenylphenyl)methyl]naphtho[2,1-b][1]benzofuran-9-amine?
N-phenyl-N-(4-phenylphenyl)-8-[phenyl-(2-phenylphenyl)methyl]naphtho[2,1-b][1]benzofuran-9-amine has a molecular weight of 703.89 g/mol, XLogP of 14.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylphenyl)-8-[phenyl-(2-phenylphenyl)methyl]naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 169293370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).