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

C50H31NO2 — CID 171738062

IUPACN-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2-c2cccc3oc4c5ccccc5ccc4c23)c2cccc3oc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C50H31NO2/c1-2-14-32(15-3-1)35-18-8-10-23-42(35)51(44-25-13-27-46-48(44)41-31-29-34-17-5-7-20-37(34)50(41)53-46)43-24-11-9-21-38(43)39-22-12-26-45-47(39)40-30-28-33-16-4-6-19-36(33)49(40)52-45/h1-31H
InChIKeyIPDSNSIXFHVVEX-UHFFFAOYSA-N
MW677.80 g/mol
LogP14.60
Rot. Bonds5

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

N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738062) has the molecular formula C50H31NO2 and a molecular weight of 677.80 g/mol. Its IUPAC name is N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738062
Molecular FormulaC50H31NO2
Molecular Weight677.80 g/mol
Exact Mass677.24
IUPAC NameN-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2-c2cccc3oc4c5ccccc5ccc4c23)c2cccc3oc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C50H31NO2/c1-2-14-32(15-3-1)35-18-8-10-23-42(35)51(44-25-13-27-46-48(44)41-31-29-34-17-5-7-20-37(34)50(41)53-46)43-24-11-9-21-38(43)39-22-12-26-45-47(39)40-30-28-33-16-4-6-19-36(33)49(40)52-45/h1-31H
InChIKeyIPDSNSIXFHVVEX-UHFFFAOYSA-N
XLogP14.60
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.80
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738021
2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167331209
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
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 167330637
N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739509
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163945137
N-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737446
N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739242
2,3,5,6-tetradeuterio-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)-4-(4-phenylphenyl)aniline
CID 167331120
N-(4-dibenzofuran-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 166938688
7-phenylnaphtho[1,2-b][1]benzofuran
CID 166938823

Frequently Asked Questions

What is the IUPAC name of N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171738062) is N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2ccccc2N(c2ccccc2-c2cccc3oc4c5ccccc5ccc4c23)c2cccc3oc4c5ccccc5ccc4c23)cc1.
What is the InChIKey of N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is IPDSNSIXFHVVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO2/c1-2-14-32(15-3-1)35-18-8-10-23-42(35)51(44-25-13-27-46-48(44)41-31-29-34-17-5-7-20-37(34)50(41)53-46)43-24-11-9-21-38(43)39-22-12-26-45-47(39)40-30-28-33-16-4-6-19-36(33)49(40)52-45/h1-31H.
What are the key properties of N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 677.80 g/mol, XLogP of 14.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).