N-dibenzofuran-4-yl-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C50H31NO2 — CID 155423485

IUPACN-dibenzofuran-4-yl-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccccc2N(c2cccc3c2oc2ccccc23)c2cccc3oc4c5ccccc5c(-c5cccc6ccccc56)cc4c23)cc1
InChIInChI=1S/C50H31NO2/c1-2-15-33(16-3-1)35-20-8-10-26-43(35)51(45-28-13-25-40-38-22-9-11-29-46(38)52-50(40)45)44-27-14-30-47-48(44)42-31-41(37-21-6-7-23-39(37)49(42)53-47)36-24-12-18-32-17-4-5-19-34(32)36/h1-31H
InChIKeyWCMCPIPWOXMHHX-UHFFFAOYSA-N
MW677.80 g/mol
LogP14.60
Rot. Bonds5

About N-dibenzofuran-4-yl-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

N-dibenzofuran-4-yl-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 155423485) has the molecular formula C50H31NO2 and a molecular weight of 677.80 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID155423485
Molecular FormulaC50H31NO2
Molecular Weight677.80 g/mol
Exact Mass677.24
IUPAC NameN-dibenzofuran-4-yl-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccccc2N(c2cccc3c2oc2ccccc23)c2cccc3oc4c5ccccc5c(-c5cccc6ccccc56)cc4c23)cc1
InChIInChI=1S/C50H31NO2/c1-2-15-33(16-3-1)35-20-8-10-26-43(35)51(45-28-13-25-40-38-22-9-11-29-46(38)52-50(40)45)44-27-14-30-47-48(44)42-31-41(37-21-6-7-23-39(37)49(42)53-47)36-24-12-18-32-17-4-5-19-34(32)36/h1-31H
InChIKeyWCMCPIPWOXMHHX-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

5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423502
N-naphthalen-1-yl-5-naphthalen-2-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423509
N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167277315
N-naphthalen-1-yl-5-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423840
N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine
CID 167086574
N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738021
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804121
N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 167087215
N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423614
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739351
N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069373
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 172503187

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-dibenzofuran-4-yl-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 155423485) is N-dibenzofuran-4-yl-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-dibenzofuran-4-yl-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2ccccc2N(c2cccc3c2oc2ccccc23)c2cccc3oc4c5ccccc5c(-c5cccc6ccccc56)cc4c23)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is WCMCPIPWOXMHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO2/c1-2-15-33(16-3-1)35-20-8-10-26-43(35)51(45-28-13-25-40-38-22-9-11-29-46(38)52-50(40)45)44-27-14-30-47-48(44)42-31-41(37-21-6-7-23-39(37)49(42)53-47)36-24-12-18-32-17-4-5-19-34(32)36/h1-31H.
What are the key properties of N-dibenzofuran-4-yl-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-dibenzofuran-4-yl-5-naphthalen-1-yl-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-dibenzofuran-4-yl-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 155423485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).