4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine

C52H37N3O — CID 170372536

IUPAC4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3cccc4c3oc3c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C52H37N3O/c1-5-17-39(18-6-1)53(40-19-7-2-8-20-40)43-29-33-45(34-30-43)55(50-27-15-26-48-49-37-28-38-16-13-14-25-47(38)51(49)56-52(48)50)46-35-31-44(32-36-46)54(41-21-9-3-10-22-41)42-23-11-4-12-24-42/h1-37H
InChIKeyIYJJCIPTPJRWRN-UHFFFAOYSA-N
MW719.89 g/mol
LogP15.15
Rot. Bonds9

About 4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine

4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine (PubChem CID 170372536) has the molecular formula C52H37N3O and a molecular weight of 719.89 g/mol. Its IUPAC name is 4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
PubChem CID170372536
Molecular FormulaC52H37N3O
Molecular Weight719.89 g/mol
Exact Mass719.29
IUPAC Name4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3cccc4c3oc3c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C52H37N3O/c1-5-17-39(18-6-1)53(40-19-7-2-8-20-40)43-29-33-45(34-30-43)55(50-27-15-26-48-49-37-28-38-16-13-14-25-47(38)51(49)56-52(48)50)46-35-31-44(32-36-46)54(41-21-9-3-10-22-41)42-23-11-4-12-24-42/h1-37H
InChIKeyIYJJCIPTPJRWRN-UHFFFAOYSA-N
XLogP15.15
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.89
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine with MolForge

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Related Compounds

N-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 169062757
N-(4-dibenzofuran-3-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804046
N-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 166917437
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167182004
N-chrysen-6-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170140332
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804045
N,8-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675105
N,N-di(dibenzofuran-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804115
8-N,10-N-diphenyl-8-N,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine
CID 166856374
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804081
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167143783
N-(3-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 169007710

Frequently Asked Questions

What is the IUPAC name of 4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine (CID 170372536) is 4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine is c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3cccc4c3oc3c5ccccc5ccc43)cc2)cc1.
What is the InChIKey of 4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The InChIKey is IYJJCIPTPJRWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3O/c1-5-17-39(18-6-1)53(40-19-7-2-8-20-40)43-29-33-45(34-30-43)55(50-27-15-26-48-49-37-28-38-16-13-14-25-47(38)51(49)56-52(48)50)46-35-31-44(32-36-46)54(41-21-9-3-10-22-41)42-23-11-4-12-24-42/h1-37H.
What are the key properties of 4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine has a molecular weight of 719.89 g/mol, XLogP of 15.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 170372536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).