N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine

C46H29NOS — CID 167331126

IUPACN-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5oc6c7ccccc7ccc6c45)c3)c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C46H29NOS/c1-2-10-30(11-3-1)31-20-23-34(24-21-31)47(36-25-27-40-39-16-6-7-19-43(39)49-44(40)29-36)35-14-8-13-33(28-35)37-17-9-18-42-45(37)41-26-22-32-12-4-5-15-38(32)46(41)48-42/h1-29H
InChIKeyOMXOGXJUEMLAFW-UHFFFAOYSA-N
MW643.81 g/mol
LogP13.91
Rot. Bonds5

About N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine

N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 167331126) has the molecular formula C46H29NOS and a molecular weight of 643.81 g/mol. Its IUPAC name is N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
PubChem CID167331126
Molecular FormulaC46H29NOS
Molecular Weight643.81 g/mol
Exact Mass643.20
IUPAC NameN-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5oc6c7ccccc7ccc6c45)c3)c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C46H29NOS/c1-2-10-30(11-3-1)31-20-23-34(24-21-31)47(36-25-27-40-39-16-6-7-19-43(39)49-44(40)29-36)35-14-8-13-33(28-35)37-17-9-18-42-45(37)41-26-22-32-12-4-5-15-38(32)46(41)48-42/h1-29H
InChIKeyOMXOGXJUEMLAFW-UHFFFAOYSA-N
XLogP13.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.81
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 163507198
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 163799851
3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167329579
N-(4-dibenzothiophen-2-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)aniline
CID 167331407
N-(4-dibenzothiophen-3-ylphenyl)-3-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 167329347
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
CID 166938900
3-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939164
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330248
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
CID 167329645
3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166939687
N-(3-naphthalen-2-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine
CID 166939608
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170272481

Frequently Asked Questions

What is the IUPAC name of N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine (CID 167331126) is N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccc(N(c3cccc(-c4cccc5oc6c7ccccc7ccc6c45)c3)c3ccc4c(c3)sc3ccccc34)cc2)cc1.
What is the InChIKey of N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is OMXOGXJUEMLAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NOS/c1-2-10-30(11-3-1)31-20-23-34(24-21-31)47(36-25-27-40-39-16-6-7-19-43(39)49-44(40)29-36)35-14-8-13-33(28-35)37-17-9-18-42-45(37)41-26-22-32-12-4-5-15-38(32)46(41)48-42/h1-29H.
What are the key properties of N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine?
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 643.81 g/mol, XLogP of 13.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 167331126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).