N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine

C46H31NO — CID 130289869

IUPACN-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc5c4oc4ccc6ccccc6c45)cc3)c2)cc1
InChIInChI=1S/C46H31NO/c1-3-12-32(13-4-1)36-17-9-18-37(30-36)34-24-27-39(28-25-34)47(40-20-10-19-38(31-40)33-14-5-2-6-15-33)43-23-11-22-42-45-41-21-8-7-16-35(41)26-29-44(45)48-46(42)43/h1-31H
InChIKeyWGWUWKMUHMOLCT-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

About N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine

N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 130289869) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID130289869
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC NameN-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc5c4oc4ccc6ccccc6c45)cc3)c2)cc1
InChIInChI=1S/C46H31NO/c1-3-12-32(13-4-1)36-17-9-18-37(30-36)34-24-27-39(28-25-34)47(40-20-10-19-38(31-40)33-14-5-2-6-15-33)43-23-11-22-42-45-41-21-8-7-16-35(41)26-29-44(45)48-46(42)43/h1-31H
InChIKeyWGWUWKMUHMOLCT-UHFFFAOYSA-N
XLogP13.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 169285534
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167183316
N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-6-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289739
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 170033252
N-(4-naphthalen-2-ylphenyl)-N,3-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 177131034
N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 170031315
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
8-N,11-N-diphenyl-8-N,11-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,11-diamine
CID 166856795
N-[2-[3-(N-dibenzofuran-4-yl-3-phenylanilino)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167086724
N-dibenzofuran-2-yl-N,3-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 177131058
N-[4-(6-phenylnaphtho[2,1-b][1]benzothiol-8-yl)phenyl]-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289753
N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 166028540

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine (CID 130289869) is N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine is c1ccc(-c2cccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc5c4oc4ccc6ccccc6c45)cc3)c2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is WGWUWKMUHMOLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-3-12-32(13-4-1)36-17-9-18-37(30-36)34-24-27-39(28-25-34)47(40-20-10-19-38(31-40)33-14-5-2-6-15-33)43-23-11-22-42-45-41-21-8-7-16-35(41)26-29-44(45)48-46(42)43/h1-31H.
What are the key properties of N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine?
N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 613.76 g/mol, XLogP of 13.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 130289869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).