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

C50H31NOS — CID 167403092

IUPACN-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]naphtho[2,3-b][1]benzothiol-1-amine
SMILESc1ccc(-c2cc3c4cccc(-c5ccc(N(c6ccccc6)c6cccc7sc8cc9ccccc9cc8c67)cc5)c4oc3c3ccccc23)cc1
InChIInChI=1S/C50H31NOS/c1-3-13-32(14-4-1)42-31-43-41-22-11-21-38(49(41)52-50(43)40-20-10-9-19-39(40)42)33-25-27-37(28-26-33)51(36-17-5-2-6-18-36)45-23-12-24-46-48(45)44-29-34-15-7-8-16-35(34)30-47(44)53-46/h1-31H
InChIKeyQJFICOYFGASFBL-UHFFFAOYSA-N
MW693.87 g/mol
LogP15.06
Rot. Bonds5

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

N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]naphtho[2,3-b][1]benzothiol-1-amine (PubChem CID 167403092) has the molecular formula C50H31NOS and a molecular weight of 693.87 g/mol. Its IUPAC name is N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]naphtho[2,3-b][1]benzothiol-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]naphtho[2,3-b][1]benzothiol-1-amine
PubChem CID167403092
Molecular FormulaC50H31NOS
Molecular Weight693.87 g/mol
Exact Mass693.21
IUPAC NameN-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]naphtho[2,3-b][1]benzothiol-1-amine
SMILESc1ccc(-c2cc3c4cccc(-c5ccc(N(c6ccccc6)c6cccc7sc8cc9ccccc9cc8c67)cc5)c4oc3c3ccccc23)cc1
InChIInChI=1S/C50H31NOS/c1-3-13-32(14-4-1)42-31-43-41-22-11-21-38(49(41)52-50(43)40-20-10-9-19-39(40)42)33-25-27-37(28-26-33)51(36-17-5-2-6-18-36)45-23-12-24-46-48(45)44-29-34-15-7-8-16-35(34)30-47(44)53-46/h1-31H
InChIKeyQJFICOYFGASFBL-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

4-dibenzothiophen-1-yl-N-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402076
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine
CID 167402936
N-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine
CID 167144638
N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine
CID 169007475
2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167143735
N-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396879
6-phenyl-N-(3-phenylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl)dibenzofuran-4-amine
CID 90263632
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167324123
N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402762
N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167329288
6-(9-dibenzothiophen-1-yldibenzothiophen-2-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine
CID 174244658
N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline
CID 167402206

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]naphtho[2,3-b][1]benzothiol-1-amine?
The IUPAC name of N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]naphtho[2,3-b][1]benzothiol-1-amine (CID 167403092) is N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]naphtho[2,3-b][1]benzothiol-1-amine.
What is the SMILES notation for N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]naphtho[2,3-b][1]benzothiol-1-amine?
The canonical SMILES for N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]naphtho[2,3-b][1]benzothiol-1-amine is c1ccc(-c2cc3c4cccc(-c5ccc(N(c6ccccc6)c6cccc7sc8cc9ccccc9cc8c67)cc5)c4oc3c3ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]naphtho[2,3-b][1]benzothiol-1-amine?
The InChIKey is QJFICOYFGASFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NOS/c1-3-13-32(14-4-1)42-31-43-41-22-11-21-38(49(41)52-50(43)40-20-10-9-19-39(40)42)33-25-27-37(28-26-33)51(36-17-5-2-6-18-36)45-23-12-24-46-48(45)44-29-34-15-7-8-16-35(34)30-47(44)53-46/h1-31H.
What are the key properties of N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]naphtho[2,3-b][1]benzothiol-1-amine?
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]naphtho[2,3-b][1]benzothiol-1-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-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]naphtho[2,3-b][1]benzothiol-1-amine is sourced from PubChem (CID 167403092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).