6-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]naphtho[2,3-b][1]benzothiol-2-amine

C52H35NS — CID 168759181

IUPAC6-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]naphtho[2,3-b][1]benzothiol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc4sc5c(-c6ccccc6)c6ccccc6cc5c4c3)cc2)cc1
InChIInChI=1S/C52H35NS/c1-4-14-36(15-5-1)37-24-28-42(29-25-37)53(43-30-26-39(27-31-43)46-22-13-12-21-45(46)38-16-6-2-7-17-38)44-32-33-50-48(35-44)49-34-41-20-10-11-23-47(41)51(52(49)54-50)40-18-8-3-9-19-40/h1-35H
InChIKeyHYRFMCWEAZSYSH-UHFFFAOYSA-N
MW705.93 g/mol
LogP15.35
Rot. Bonds7

About 6-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]naphtho[2,3-b][1]benzothiol-2-amine

6-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]naphtho[2,3-b][1]benzothiol-2-amine (PubChem CID 168759181) has the molecular formula C52H35NS and a molecular weight of 705.93 g/mol. Its IUPAC name is 6-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]naphtho[2,3-b][1]benzothiol-2-amine.

Molecular Properties

Compound Name6-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]naphtho[2,3-b][1]benzothiol-2-amine
PubChem CID168759181
Molecular FormulaC52H35NS
Molecular Weight705.93 g/mol
Exact Mass705.25
IUPAC Name6-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]naphtho[2,3-b][1]benzothiol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc4sc5c(-c6ccccc6)c6ccccc6cc5c4c3)cc2)cc1
InChIInChI=1S/C52H35NS/c1-4-14-36(15-5-1)37-24-28-42(29-25-37)53(43-30-26-39(27-31-43)46-22-13-12-21-45(46)38-16-6-2-7-17-38)44-32-33-50-48(35-44)49-34-41-20-10-11-23-47(41)51(52(49)54-50)40-18-8-3-9-19-40/h1-35H
InChIKeyHYRFMCWEAZSYSH-UHFFFAOYSA-N
XLogP15.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.93
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]naphtho[2,3-b][1]benzothiol-2-amine with MolForge

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Related Compounds

N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine
CID 169285320
N-[4-(4-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 135277376
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-8-amine
CID 167339393
N,6-diphenyl-N-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-8-amine
CID 167339317
N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenylnaphtho[1,2-b][1]benzothiol-8-amine
CID 167339243
4-[2-[2-(N-(3,4-diphenylphenyl)anilino)dibenzothiophen-4-yl]phenyl]-N,N-diphenyldibenzothiophen-2-amine
CID 146638320
N-(3,4-diphenylphenyl)-N-phenanthren-3-yl-6-phenyldibenzothiophen-2-amine
CID 177080960
5-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-3-amine
CID 169280531
N-phenyl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-2-amine
CID 170037124
4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 129129842
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]tetraphenylen-2-amine
CID 139297752

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]naphtho[2,3-b][1]benzothiol-2-amine?
The IUPAC name of 6-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]naphtho[2,3-b][1]benzothiol-2-amine (CID 168759181) is 6-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]naphtho[2,3-b][1]benzothiol-2-amine.
What is the SMILES notation for 6-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]naphtho[2,3-b][1]benzothiol-2-amine?
The canonical SMILES for 6-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]naphtho[2,3-b][1]benzothiol-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3ccc4sc5c(-c6ccccc6)c6ccccc6cc5c4c3)cc2)cc1.
What is the InChIKey of 6-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]naphtho[2,3-b][1]benzothiol-2-amine?
The InChIKey is HYRFMCWEAZSYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NS/c1-4-14-36(15-5-1)37-24-28-42(29-25-37)53(43-30-26-39(27-31-43)46-22-13-12-21-45(46)38-16-6-2-7-17-38)44-32-33-50-48(35-44)49-34-41-20-10-11-23-47(41)51(52(49)54-50)40-18-8-3-9-19-40/h1-35H.
What are the key properties of 6-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]naphtho[2,3-b][1]benzothiol-2-amine?
6-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]naphtho[2,3-b][1]benzothiol-2-amine has a molecular weight of 705.93 g/mol, XLogP of 15.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]naphtho[2,3-b][1]benzothiol-2-amine is sourced from PubChem (CID 168759181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).