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

C50H31NOS — CID 171738900

IUPACN-dibenzothiophen-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc2c(-c3ccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6oc7c8ccccc8ccc7c56)cc4)cc3)cccc2c1
InChIInChI=1S/C50H31NOS/c1-3-12-39-34(9-1)11-7-15-40(39)36-21-19-32(20-22-36)33-23-26-37(27-24-33)51(38-28-30-43-42-14-5-6-18-47(42)53-48(43)31-38)45-16-8-17-46-49(45)44-29-25-35-10-2-4-13-41(35)50(44)52-46/h1-31H
InChIKeyOUEPQGVLKJYQCK-UHFFFAOYSA-N
MW693.87 g/mol
LogP15.06
Rot. Bonds5

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

N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738900) has the molecular formula C50H31NOS and a molecular weight of 693.87 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738900
Molecular FormulaC50H31NOS
Molecular Weight693.87 g/mol
Exact Mass693.21
IUPAC NameN-dibenzothiophen-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc2c(-c3ccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6oc7c8ccccc8ccc7c56)cc4)cc3)cccc2c1
InChIInChI=1S/C50H31NOS/c1-3-12-39-34(9-1)11-7-15-40(39)36-21-19-32(20-22-36)33-23-26-37(27-24-33)51(38-28-30-43-42-14-5-6-18-47(42)53-48(43)31-38)45-16-8-17-46-49(45)44-29-25-35-10-2-4-13-41(35)50(44)52-46/h1-31H
InChIKeyOUEPQGVLKJYQCK-UHFFFAOYSA-N
XLogP15.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.87
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737995
N-dibenzothiophen-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737953
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
CID 166938900
N-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 167397714
N-dibenzothiophen-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739402
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzothiophen-3-amine
CID 166939205
N-dibenzothiophen-3-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738987
N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739542
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
CID 167329645
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737260
N-(4-dibenzothiophen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171737614
N-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738699

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171738900) is N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is c1ccc2c(-c3ccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6oc7c8ccccc8ccc7c56)cc4)cc3)cccc2c1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is OUEPQGVLKJYQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NOS/c1-3-12-39-34(9-1)11-7-15-40(39)36-21-19-32(20-22-36)33-23-26-37(27-24-33)51(38-28-30-43-42-14-5-6-18-47(42)53-48(43)31-38)45-16-8-17-46-49(45)44-29-25-35-10-2-4-13-41(35)50(44)52-46/h1-31H.
What are the key properties of N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 693.87 g/mol, XLogP of 15.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).