N,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine

C52H35NS — CID 170272338

IUPACN,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc5sc6c7ccccc7ccc6c45)cc3)cc2)cc1
InChIInChI=1S/C52H35NS/c1-3-10-36(11-4-1)38-18-22-40(23-19-38)42-26-31-45(32-27-42)53(46-33-28-43(29-34-46)41-24-20-39(21-25-41)37-12-5-2-6-13-37)49-16-9-17-50-51(49)48-35-30-44-14-7-8-15-47(44)52(48)54-50/h1-35H
InChIKeyTUWRDUYKYJVHRM-UHFFFAOYSA-N
MW705.93 g/mol
LogP15.35
Rot. Bonds7

About N,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine

N,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine (PubChem CID 170272338) has the molecular formula C52H35NS and a molecular weight of 705.93 g/mol. Its IUPAC name is N,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine.

Molecular Properties

Compound NameN,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine
PubChem CID170272338
Molecular FormulaC52H35NS
Molecular Weight705.93 g/mol
Exact Mass705.25
IUPAC NameN,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc5sc6c7ccccc7ccc6c45)cc3)cc2)cc1
InChIInChI=1S/C52H35NS/c1-3-10-36(11-4-1)38-18-22-40(23-19-38)42-26-31-45(32-27-42)53(46-33-28-43(29-34-46)41-24-20-39(21-25-41)37-12-5-2-6-13-37)49-16-9-17-50-51(49)48-35-30-44-14-7-8-15-47(44)52(48)54-50/h1-35H
InChIKeyTUWRDUYKYJVHRM-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

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Related Compounds

N,N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 170050252
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 167184559
N-chrysen-3-yl-N-phenylnaphtho[1,2-b][1]benzothiol-7-amine
CID 170140474
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 167397344
N-[2-(4-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 169007799
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 167277297
N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 167183232
N-chrysen-2-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170137727
N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170039057
N-[2-[2-(N-dibenzothiophen-1-yl-3-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 167086900
7-N-phenyl-9-N-(3-phenylphenyl)-7-N,9-N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,9-diamine
CID 166856623
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-4-amine
CID 167184037

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine?
The IUPAC name of N,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine (CID 170272338) is N,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine.
What is the SMILES notation for N,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine?
The canonical SMILES for N,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc5sc6c7ccccc7ccc6c45)cc3)cc2)cc1.
What is the InChIKey of N,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine?
The InChIKey is TUWRDUYKYJVHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NS/c1-3-10-36(11-4-1)38-18-22-40(23-19-38)42-26-31-45(32-27-42)53(46-33-28-43(29-34-46)41-24-20-39(21-25-41)37-12-5-2-6-13-37)49-16-9-17-50-51(49)48-35-30-44-14-7-8-15-47(44)52(48)54-50/h1-35H.
What are the key properties of N,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine?
N,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-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 N,N-bis[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzothiol-7-amine is sourced from PubChem (CID 170272338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).