N,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine

C34H23NS — CID 169280735

IUPACN,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine
SMILESc1ccc(-c2c(N(c3ccccc3)c3ccccc3)c3c4ccccc4sc3c3ccccc23)cc1
InChIInChI=1S/C34H23NS/c1-4-14-24(15-5-1)31-27-20-10-11-21-28(27)34-32(29-22-12-13-23-30(29)36-34)33(31)35(25-16-6-2-7-17-25)26-18-8-3-9-19-26/h1-23H
InChIKeyXAZZYUHDRJZUAQ-UHFFFAOYSA-N
MW477.63 g/mol
LogP10.34
Rot. Bonds4

About N,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine

N,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine (PubChem CID 169280735) has the molecular formula C34H23NS and a molecular weight of 477.63 g/mol. Its IUPAC name is N,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine.

Molecular Properties

Compound NameN,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine
PubChem CID169280735
Molecular FormulaC34H23NS
Molecular Weight477.63 g/mol
Exact Mass477.16
IUPAC NameN,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine
SMILESc1ccc(-c2c(N(c3ccccc3)c3ccccc3)c3c4ccccc4sc3c3ccccc23)cc1
InChIInChI=1S/C34H23NS/c1-4-14-24(15-5-1)31-27-20-10-11-21-28(27)34-32(29-22-12-13-23-30(29)36-34)33(31)35(25-16-6-2-7-17-25)26-18-8-3-9-19-26/h1-23H
InChIKeyXAZZYUHDRJZUAQ-UHFFFAOYSA-N
XLogP10.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.63
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,5-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine
CID 169280675
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-6-amine
CID 169280526
6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
CID 169280394
N,N-diphenyl-6-(4-triphenylen-2-ylphenyl)naphtho[1,2-b][1]benzothiol-5-amine
CID 169280424
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzothiol-6-amine
CID 169280514
N-[4-[4-(10-dibenzothiophen-4-ylphenanthren-9-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 142541696
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline
CID 169065383
N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine
CID 155305496
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-(4-dibenzothiophen-4-ylphenyl)-10-naphthalen-1-yl-N-phenylphenanthren-9-amine
CID 155305485
N-(3-dibenzothiophen-4-ylphenyl)-N,10-bis(3-phenylphenyl)phenanthren-9-amine
CID 155304369
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081

Frequently Asked Questions

What is the IUPAC name of N,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine?
The IUPAC name of N,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine (CID 169280735) is N,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine.
What is the SMILES notation for N,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine?
The canonical SMILES for N,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine is c1ccc(-c2c(N(c3ccccc3)c3ccccc3)c3c4ccccc4sc3c3ccccc23)cc1.
What is the InChIKey of N,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine?
The InChIKey is XAZZYUHDRJZUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23NS/c1-4-14-24(15-5-1)31-27-20-10-11-21-28(27)34-32(29-22-12-13-23-30(29)36-34)33(31)35(25-16-6-2-7-17-25)26-18-8-3-9-19-26/h1-23H.
What are the key properties of N,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine?
N,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine has a molecular weight of 477.63 g/mol, XLogP of 10.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-triphenylnaphtho[1,2-b][1]benzothiol-6-amine is sourced from PubChem (CID 169280735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).