N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine

C52H33NS — CID 169280424

IUPACN,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
SMILESc1ccc(N(c2ccccc2)c2c(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3c4ccccc4sc3c3ccccc23)cc1
InChIInChI=1S/C52H33NS/c1-3-15-37(16-4-1)53(38-17-5-2-6-18-38)51-44-23-11-12-24-45(44)52-50(46-25-13-14-26-48(46)54-52)49(51)35-29-27-34(28-30-35)36-31-32-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)47(43)33-36/h1-33H
InChIKeyKBNQMPYPSPLDFX-UHFFFAOYSA-N
MW703.91 g/mol
LogP15.47
Rot. Bonds5

About N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine

N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine (PubChem CID 169280424) has the molecular formula C52H33NS and a molecular weight of 703.91 g/mol. Its IUPAC name is N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine.

Molecular Properties

Compound NameN,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
PubChem CID169280424
Molecular FormulaC52H33NS
Molecular Weight703.91 g/mol
Exact Mass703.23
IUPAC NameN,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
SMILESc1ccc(N(c2ccccc2)c2c(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3c4ccccc4sc3c3ccccc23)cc1
InChIInChI=1S/C52H33NS/c1-3-15-37(16-4-1)53(38-17-5-2-6-18-38)51-44-23-11-12-24-45(44)52-50(46-25-13-14-26-48(46)54-52)49(51)35-29-27-34(28-30-35)36-31-32-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)47(43)33-36/h1-33H
InChIKeyKBNQMPYPSPLDFX-UHFFFAOYSA-N
XLogP15.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.91
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine with MolForge

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Launch Full Analysis

Related Compounds

6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
CID 169280394
N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine
CID 169280675
N,N-diphenyl-4-[18-[4-(N-phenylanilino)phenyl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-5-yl]aniline
CID 121260223
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine
CID 169280526
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
CID 169280286
N,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine
CID 169280735
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
CID 169280868
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline
CID 169065383
5-(10-phenylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 122426117
N-(3-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064842
N-(4-dibenzothiophen-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064173
3-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine
CID 169280771

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine?
The IUPAC name of N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine (CID 169280424) is N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine.
What is the SMILES notation for N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine?
The canonical SMILES for N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine is c1ccc(N(c2ccccc2)c2c(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3c4ccccc4sc3c3ccccc23)cc1.
What is the InChIKey of N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine?
The InChIKey is KBNQMPYPSPLDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NS/c1-3-15-37(16-4-1)53(38-17-5-2-6-18-38)51-44-23-11-12-24-45(44)52-50(46-25-13-14-26-48(46)54-52)49(51)35-29-27-34(28-30-35)36-31-32-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)47(43)33-36/h1-33H.
What are the key properties of N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine?
N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine has a molecular weight of 703.91 g/mol, XLogP of 15.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine is sourced from PubChem (CID 169280424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).