N-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine

C50H31NOS — CID 167144638

IUPACN-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cc3c4cccc(-c5ccc(N(c6ccc7ccccc7c6)c6ccc7c(c6)sc6ccccc67)cc5)c4oc3c3ccccc23)cc1
InChIInChI=1S/C50H31NOS/c1-2-12-33(13-3-1)45-31-46-44-19-10-18-39(49(44)52-50(46)43-17-7-6-15-40(43)45)34-22-24-36(25-23-34)51(37-26-21-32-11-4-5-14-35(32)29-37)38-27-28-42-41-16-8-9-20-47(41)53-48(42)30-38/h1-31H
InChIKeyKNUBRSMXOJHBJU-UHFFFAOYSA-N
MW693.87 g/mol
LogP15.06
Rot. Bonds5

About N-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine

N-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine (PubChem CID 167144638) has the molecular formula C50H31NOS and a molecular weight of 693.87 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine
PubChem CID167144638
Molecular FormulaC50H31NOS
Molecular Weight693.87 g/mol
Exact Mass693.21
IUPAC NameN-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cc3c4cccc(-c5ccc(N(c6ccc7ccccc7c6)c6ccc7c(c6)sc6ccccc67)cc5)c4oc3c3ccccc23)cc1
InChIInChI=1S/C50H31NOS/c1-2-12-33(13-3-1)45-31-46-44-19-10-18-39(49(44)52-50(46)43-17-7-6-15-40(43)45)34-22-24-36(25-23-34)51(37-26-21-32-11-4-5-14-35(32)29-37)38-27-28-42-41-16-8-9-20-47(41)53-48(42)30-38/h1-31H
InChIKeyKNUBRSMXOJHBJU-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-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine
CID 167402936
4-dibenzothiophen-1-yl-N-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402076
N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 167397227
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-2-amine
CID 121296621
N-(4-dibenzothiophen-3-ylphenyl)-N-(2-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397552
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-3-naphthalen-2-ylaniline
CID 167324054
N-(4-naphthalen-1-ylphenyl)-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 164959536
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]naphtho[2,3-b][1]benzothiol-1-amine
CID 167403092
N-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 167397714
N-(7-dibenzofuran-4-ylphenanthren-2-yl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 164966685
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yldibenzothiophen-3-amine
CID 168809996
2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176817755

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine (CID 167144638) is N-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine is c1ccc(-c2cc3c4cccc(-c5ccc(N(c6ccc7ccccc7c6)c6ccc7c(c6)sc6ccccc67)cc5)c4oc3c3ccccc23)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine?
The InChIKey is KNUBRSMXOJHBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NOS/c1-2-12-33(13-3-1)45-31-46-44-19-10-18-39(49(44)52-50(46)43-17-7-6-15-40(43)45)34-22-24-36(25-23-34)51(37-26-21-32-11-4-5-14-35(32)29-37)38-27-28-42-41-16-8-9-20-47(41)53-48(42)30-38/h1-31H.
What are the key properties of N-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine?
N-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-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-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 167144638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).