N-phenanthren-2-yldibenzothiophen-3-amine

C26H17NS — CID 166647228

IUPACN-phenanthren-2-yldibenzothiophen-3-amine
SMILESc1ccc2c(c1)ccc1cc(Nc3ccc4c(c3)sc3ccccc34)ccc12
InChIInChI=1S/C26H17NS/c1-2-6-21-17(5-1)9-10-18-15-19(11-13-22(18)21)27-20-12-14-24-23-7-3-4-8-25(23)28-26(24)16-20/h1-16,27H
InChIKeyXPUYNPOBKLZYCF-UHFFFAOYSA-N
MW375.50 g/mol
LogP8.10
Rot. Bonds2

About N-phenanthren-2-yldibenzothiophen-3-amine

N-phenanthren-2-yldibenzothiophen-3-amine (PubChem CID 166647228) has the molecular formula C26H17NS and a molecular weight of 375.50 g/mol. Its IUPAC name is N-phenanthren-2-yldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-phenanthren-2-yldibenzothiophen-3-amine
PubChem CID166647228
Molecular FormulaC26H17NS
Molecular Weight375.50 g/mol
Exact Mass375.11
IUPAC NameN-phenanthren-2-yldibenzothiophen-3-amine
SMILESc1ccc2c(c1)ccc1cc(Nc3ccc4c(c3)sc3ccccc34)ccc12
InChIInChI=1S/C26H17NS/c1-2-6-21-17(5-1)9-10-18-15-19(11-13-22(18)21)27-20-12-14-24-23-7-3-4-8-25(23)28-26(24)16-20/h1-16,27H
InChIKeyXPUYNPOBKLZYCF-UHFFFAOYSA-N
XLogP8.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.50
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-phenylphenanthren-2-amine
CID 23175030
N-dibenzothiophen-3-ylpyridin-4-amine
CID 137471578
N-dibenzothiophen-3-yl-6-iododibenzothiophen-3-amine
CID 155205215
N-[4-(1,3-benzothiazol-2-yl)phenyl]dibenzothiophen-3-amine
CID 166918168
N-naphthalen-1-ylphenanthren-2-amine
CID 139983977
N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 164973575
N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine
CID 118616822
N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 169073524
1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 142405945
N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]dibenzothiophen-3-amine
CID 144963579
2-(naphthalen-2-ylamino)-1,3-benzothiazin-4-one
CID 597901
2-N-dibenzothiophen-3-yl-2-N,7-N,7-N-triphenylphenanthrene-2,7-diamine
CID 170410437

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-2-yldibenzothiophen-3-amine?
The IUPAC name of N-phenanthren-2-yldibenzothiophen-3-amine (CID 166647228) is N-phenanthren-2-yldibenzothiophen-3-amine.
What is the SMILES notation for N-phenanthren-2-yldibenzothiophen-3-amine?
The canonical SMILES for N-phenanthren-2-yldibenzothiophen-3-amine is c1ccc2c(c1)ccc1cc(Nc3ccc4c(c3)sc3ccccc34)ccc12.
What is the InChIKey of N-phenanthren-2-yldibenzothiophen-3-amine?
The InChIKey is XPUYNPOBKLZYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NS/c1-2-6-21-17(5-1)9-10-18-15-19(11-13-22(18)21)27-20-12-14-24-23-7-3-4-8-25(23)28-26(24)16-20/h1-16,27H.
What are the key properties of N-phenanthren-2-yldibenzothiophen-3-amine?
N-phenanthren-2-yldibenzothiophen-3-amine has a molecular weight of 375.50 g/mol, XLogP of 8.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-2-yldibenzothiophen-3-amine is sourced from PubChem (CID 166647228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).