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

C50H31NO2 — CID 176616745

IUPACN-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3)c3ccc4c(c3)oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C50H31NO2/c1-2-8-32(9-3-1)33-16-22-38(23-17-33)51(40-26-27-43-48(31-40)53-46-28-20-35-10-4-5-11-41(35)49(43)46)39-24-18-34(19-25-39)37-15-14-36-21-29-47-50(44(36)30-37)42-12-6-7-13-45(42)52-47/h1-31H
InChIKeyIBAKMCHPWLNWOI-UHFFFAOYSA-N
MW677.80 g/mol
LogP14.60
Rot. Bonds5

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

N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 176616745) has the molecular formula C50H31NO2 and a molecular weight of 677.80 g/mol. Its IUPAC name is N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID176616745
Molecular FormulaC50H31NO2
Molecular Weight677.80 g/mol
Exact Mass677.24
IUPAC NameN-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3)c3ccc4c(c3)oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C50H31NO2/c1-2-8-32(9-3-1)33-16-22-38(23-17-33)51(40-26-27-43-48(31-40)53-46-28-20-35-10-4-5-11-41(35)49(43)46)39-24-18-34(19-25-39)37-15-14-36-21-29-47-50(44(36)30-37)42-12-6-7-13-45(42)52-47/h1-31H
InChIKeyIBAKMCHPWLNWOI-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

2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
CID 177130958
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616741
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030394
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 176616609
N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
CID 170030263
N-[4-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 170127431
N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170140386
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 170030346
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-4-phenylaniline
CID 170031307
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030567
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030395
N-phenyl-N-(4-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 138651086

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 176616745) is N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3)c3ccc4c(c3)oc3ccc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is IBAKMCHPWLNWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO2/c1-2-8-32(9-3-1)33-16-22-38(23-17-33)51(40-26-27-43-48(31-40)53-46-28-20-35-10-4-5-11-41(35)49(43)46)39-24-18-34(19-25-39)37-15-14-36-21-29-47-50(44(36)30-37)42-12-6-7-13-45(42)52-47/h1-31H.
What are the key properties of N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-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-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 176616745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).