N-(4-naphthalen-2-ylphenyl)-1-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine

C54H35NS — CID 177280898

IUPACN-(4-naphthalen-2-ylphenyl)-1-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4sc5ccccc5c4c3-c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C54H35NS/c1-2-12-36(13-3-1)38-24-28-43(29-25-38)55(44-30-26-39(27-31-44)41-23-22-37-14-4-5-15-40(37)34-41)50-32-33-52-54(48-20-10-11-21-51(48)56-52)53(50)49-35-42-16-6-7-17-45(42)46-18-8-9-19-47(46)49/h1-35H
InChIKeyAHZKKOVDPMNKAC-UHFFFAOYSA-N
MW729.95 g/mol
LogP15.98
Rot. Bonds6

About N-(4-naphthalen-2-ylphenyl)-1-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine

N-(4-naphthalen-2-ylphenyl)-1-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 177280898) has the molecular formula C54H35NS and a molecular weight of 729.95 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-1-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-1-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
PubChem CID177280898
Molecular FormulaC54H35NS
Molecular Weight729.95 g/mol
Exact Mass729.25
IUPAC NameN-(4-naphthalen-2-ylphenyl)-1-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4sc5ccccc5c4c3-c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C54H35NS/c1-2-12-36(13-3-1)38-24-28-43(29-25-38)55(44-30-26-39(27-31-44)41-23-22-37-14-4-5-15-40(37)34-41)50-32-33-52-54(48-20-10-11-21-51(48)56-52)53(50)49-35-42-16-6-7-17-45(42)46-18-8-9-19-47(46)49/h1-35H
InChIKeyAHZKKOVDPMNKAC-UHFFFAOYSA-N
XLogP15.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.95
LogP ≤ 515.98
H-Bond Donors ≤ 50
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-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 167233880
N-(4-dibenzofuran-1-ylphenyl)-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 177281313
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)phenanthren-9-amine
CID 167324405
N-(9,9-dimethylfluoren-2-yl)-1-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 177280656
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]naphtho[2,3-b][1]benzothiol-1-amine
CID 169007438
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-2-phenylaniline
CID 170037218
N-(7-phenanthren-9-ylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine
CID 169007066
2-dibenzothiophen-2-yl-3-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 177274441
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 170037663
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
CID 177274546
3-dibenzothiophen-3-yl-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 177274580

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-1-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-1-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine (CID 177280898) is N-(4-naphthalen-2-ylphenyl)-1-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-1-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-1-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4sc5ccccc5c4c3-c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-1-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is AHZKKOVDPMNKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NS/c1-2-12-36(13-3-1)38-24-28-43(29-25-38)55(44-30-26-39(27-31-44)41-23-22-37-14-4-5-15-40(37)34-41)50-32-33-52-54(48-20-10-11-21-51(48)56-52)53(50)49-35-42-16-6-7-17-45(42)46-18-8-9-19-47(46)49/h1-35H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-1-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine?
N-(4-naphthalen-2-ylphenyl)-1-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 729.95 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-1-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 177280898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).