N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C46H29NOS — CID 170239260

IUPACN-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3sc3ccccc34)c3cc(-c4ccccc4)cc4oc5c6ccccc6ccc5c34)cc2)cc1
InChIInChI=1S/C46H29NOS/c1-3-12-30(13-4-1)32-22-25-35(26-23-32)47(40-20-11-19-38-37-18-9-10-21-43(37)49-46(38)40)41-28-34(31-14-5-2-6-15-31)29-42-44(41)39-27-24-33-16-7-8-17-36(33)45(39)48-42/h1-29H
InChIKeyGTNDUXQRALUNLI-UHFFFAOYSA-N
MW643.81 g/mol
LogP13.91
Rot. Bonds5

About N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 170239260) has the molecular formula C46H29NOS and a molecular weight of 643.81 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID170239260
Molecular FormulaC46H29NOS
Molecular Weight643.81 g/mol
Exact Mass643.20
IUPAC NameN-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccc(N(c3cccc4c3sc3ccccc34)c3cc(-c4ccccc4)cc4oc5c6ccccc6ccc5c34)cc2)cc1
InChIInChI=1S/C46H29NOS/c1-3-12-30(13-4-1)32-22-25-35(26-23-32)47(40-20-11-19-38-37-18-9-10-21-43(37)49-46(38)40)41-28-34(31-14-5-2-6-15-31)29-42-44(41)39-27-24-33-16-7-8-17-36(33)45(39)48-42/h1-29H
InChIKeyGTNDUXQRALUNLI-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-dibenzothiophen-4-yl-9-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170241934
N-dibenzothiophen-4-yl-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170239480
N-dibenzothiophen-4-yl-9-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170675281
N-dibenzothiophen-4-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738816
N-dibenzothiophen-4-yl-8-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675043
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166938730
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737260
N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171738749
N-dibenzothiophen-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737953
N-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675176
N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675705
9-N-dibenzothiophen-4-yl-11-N-phenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
CID 166856138

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 170239260) is N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2ccc(N(c3cccc4c3sc3ccccc34)c3cc(-c4ccccc4)cc4oc5c6ccccc6ccc5c34)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is GTNDUXQRALUNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NOS/c1-3-12-30(13-4-1)32-22-25-35(26-23-32)47(40-20-11-19-38-37-18-9-10-21-43(37)49-46(38)40)41-28-34(31-14-5-2-6-15-31)29-42-44(41)39-27-24-33-16-7-8-17-36(33)45(39)48-42/h1-29H.
What are the key properties of N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-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-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 170239260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).