2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

C46H31NO — CID 167331209

IUPAC2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc5oc6c7ccccc7ccc6c45)cc3)cc2)cc1
InChIInChI=1S/C46H31NO/c1-3-12-32(13-4-1)33-22-24-34(25-23-33)35-26-29-38(30-27-35)47(37-15-5-2-6-16-37)43-20-10-9-18-40(43)41-19-11-21-44-45(41)42-31-28-36-14-7-8-17-39(36)46(42)48-44/h1-31H
InChIKeyUYJBOIOSJYWSEZ-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

About 2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 167331209) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is 2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID167331209
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC Name2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc5oc6c7ccccc7ccc6c45)cc3)cc2)cc1
InChIInChI=1S/C46H31NO/c1-3-12-32(13-4-1)33-22-24-34(25-23-33)35-26-29-38(30-27-35)47(37-15-5-2-6-16-37)43-20-10-9-18-40(43)41-19-11-21-44-45(41)42-31-28-36-14-7-8-17-39(36)46(42)48-44/h1-31H
InChIKeyUYJBOIOSJYWSEZ-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-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167329404
N-(4-dibenzofuran-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 166938688
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-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline
CID 167330277
N-(4-dibenzofuran-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167329508
N-(4-dibenzofuran-4-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 166938692
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330356
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 166939006
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163945137
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330822
N-[4-(3,4-diphenylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167331127

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (CID 167331209) is 2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc5oc6c7ccccc7ccc6c45)cc3)cc2)cc1.
What is the InChIKey of 2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is UYJBOIOSJYWSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-3-12-32(13-4-1)33-22-24-34(25-23-33)35-26-29-38(30-27-35)47(37-15-5-2-6-16-37)43-20-10-9-18-40(43)41-19-11-21-44-45(41)42-31-28-36-14-7-8-17-39(36)46(42)48-44/h1-31H.
What are the key properties of 2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline 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 2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167331209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).