N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-phenylnaphthalen-2-amine

C38H25NS — CID 170037227

IUPACN-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccc5sc6ccccc6c5c4c3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C38H25NS/c1-2-10-31(11-3-1)39(33-22-18-26-8-4-5-9-29(26)24-33)32-20-16-27(17-21-32)30-15-14-28-19-23-37-38(35(28)25-30)34-12-6-7-13-36(34)40-37/h1-25H
InChIKeyTXBRMHPPKUDDRY-UHFFFAOYSA-N
MW527.69 g/mol
LogP11.50
Rot. Bonds4

About N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-phenylnaphthalen-2-amine

N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-phenylnaphthalen-2-amine (PubChem CID 170037227) has the molecular formula C38H25NS and a molecular weight of 527.69 g/mol. Its IUPAC name is N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-phenylnaphthalen-2-amine
PubChem CID170037227
Molecular FormulaC38H25NS
Molecular Weight527.69 g/mol
Exact Mass527.17
IUPAC NameN-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccc5sc6ccccc6c5c4c3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C38H25NS/c1-2-10-31(11-3-1)39(33-22-18-26-8-4-5-9-29(26)24-33)32-20-16-27(17-21-32)30-15-14-28-19-23-37-38(35(28)25-30)34-12-6-7-13-36(34)40-37/h1-25H
InChIKeyTXBRMHPPKUDDRY-UHFFFAOYSA-N
XLogP11.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.69
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170037052
N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-phenylnaphthalen-2-amine
CID 170038826
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170037373
N-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-2-amine
CID 170037216
N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-2-yl-N-phenylaniline
CID 170036987
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 167184091
3-N-(4-dibenzothiophen-2-ylphenyl)-3-N-naphthalen-2-yl-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604927
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzothiol-4-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170038025
N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine
CID 90263592
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
CID 170038744
N-(3-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-N,8-diphenyldibenzothiophen-2-amine
CID 170050563
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-2-phenylaniline
CID 170037218

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-phenylnaphthalen-2-amine?
The IUPAC name of N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-phenylnaphthalen-2-amine (CID 170037227) is N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-phenylnaphthalen-2-amine is c1ccc(N(c2ccc(-c3ccc4ccc5sc6ccccc6c5c4c3)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-phenylnaphthalen-2-amine?
The InChIKey is TXBRMHPPKUDDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NS/c1-2-10-31(11-3-1)39(33-22-18-26-8-4-5-9-29(26)24-33)32-20-16-27(17-21-32)30-15-14-28-19-23-37-38(35(28)25-30)34-12-6-7-13-36(34)40-37/h1-25H.
What are the key properties of N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-phenylnaphthalen-2-amine?
N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-phenylnaphthalen-2-amine has a molecular weight of 527.69 g/mol, XLogP of 11.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 170037227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).