N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzothiophen-2-amine

C50H31NOS — CID 174292259

IUPACN-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3sc4ccccc4c3c2)c(-c2ccc3oc4c5ccccc5ccc4c3c2)c1
InChIInChI=1S/C50H31NOS/c1-3-13-38-32(10-1)12-9-17-39(38)34-20-24-36(25-21-34)51(37-26-29-49-45(31-37)42-16-6-8-19-48(42)53-49)46-18-7-5-14-40(46)35-23-28-47-44(30-35)43-27-22-33-11-2-4-15-41(33)50(43)52-47/h1-31H
InChIKeyBVYSJJCGOWFHGT-UHFFFAOYSA-N
MW693.87 g/mol
LogP15.06
Rot. Bonds5

About N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzothiophen-2-amine

N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzothiophen-2-amine (PubChem CID 174292259) has the molecular formula C50H31NOS and a molecular weight of 693.87 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzothiophen-2-amine
PubChem CID174292259
Molecular FormulaC50H31NOS
Molecular Weight693.87 g/mol
Exact Mass693.21
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3sc4ccccc4c3c2)c(-c2ccc3oc4c5ccccc5ccc4c3c2)c1
InChIInChI=1S/C50H31NOS/c1-3-13-38-32(10-1)12-9-17-39(38)34-20-24-36(25-21-34)51(37-26-29-49-45(31-37)42-16-6-8-19-48(42)53-49)46-18-7-5-14-40(46)35-23-28-47-44(30-35)43-27-22-33-11-2-4-15-41(33)50(43)52-47/h1-31H
InChIKeyBVYSJJCGOWFHGT-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-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzofuran-2-amine
CID 174280847
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326130
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 167326462
N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738900
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167325488
N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 174273092
N,N-bis(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;8-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160881655
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 174273290
N-(2-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326184
N-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738791
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739547
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 167324430

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzothiophen-2-amine (CID 174292259) is N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzothiophen-2-amine is c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3sc4ccccc4c3c2)c(-c2ccc3oc4c5ccccc5ccc4c3c2)c1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzothiophen-2-amine?
The InChIKey is BVYSJJCGOWFHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NOS/c1-3-13-38-32(10-1)12-9-17-39(38)34-20-24-36(25-21-34)51(37-26-29-49-45(31-37)42-16-6-8-19-48(42)53-49)46-18-7-5-14-40(46)35-23-28-47-44(30-35)43-27-22-33-11-2-4-15-41(33)50(43)52-47/h1-31H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzothiophen-2-amine?
N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzothiophen-2-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-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 174292259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).