N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine

C44H29NS — CID 167277417

IUPACN-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3sc3c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C44H29NS/c1-2-10-30(11-3-1)31-20-25-35(26-21-31)45(36-27-22-34(23-28-36)38-17-8-14-32-12-4-6-15-37(32)38)42-19-9-18-40-41-29-24-33-13-5-7-16-39(33)43(41)46-44(40)42/h1-29H
InChIKeyUMRZEYOLSBXPRA-UHFFFAOYSA-N
MW603.79 g/mol
LogP13.16
Rot. Bonds5

About N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine

N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine (PubChem CID 167277417) has the molecular formula C44H29NS and a molecular weight of 603.79 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
PubChem CID167277417
Molecular FormulaC44H29NS
Molecular Weight603.79 g/mol
Exact Mass603.20
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3sc3c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C44H29NS/c1-2-10-30(11-3-1)31-20-25-35(26-21-31)45(36-27-22-34(23-28-36)38-17-8-14-32-12-4-6-15-37(32)38)42-19-9-18-40-41-29-24-33-13-5-7-16-39(33)43(41)46-44(40)42/h1-29H
InChIKeyUMRZEYOLSBXPRA-UHFFFAOYSA-N
XLogP13.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.79
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yl-6-phenyldibenzothiophen-4-amine
CID 168809687
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139355171
7-N,10-N-diphenyl-7-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-7,10-diamine
CID 166856559
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605620
N-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 169007287
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-8-amine
CID 168737988
8-N,9-N-diphenyl-8-N-(2-phenylphenyl)-9-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiole-8,9-diamine
CID 166856579
6-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164744422
N-phenyl-N,10-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-7-amine
CID 170675156
N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167396719
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397362
N-(4-naphthalen-1-ylphenyl)-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605660

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine (CID 167277417) is N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3sc3c5ccccc5ccc43)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine?
The InChIKey is UMRZEYOLSBXPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NS/c1-2-10-30(11-3-1)31-20-25-35(26-21-31)45(36-27-22-34(23-28-36)38-17-8-14-32-12-4-6-15-37(32)38)42-19-9-18-40-41-29-24-33-13-5-7-16-39(33)43(41)46-44(40)42/h1-29H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine?
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine has a molecular weight of 603.79 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine is sourced from PubChem (CID 167277417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).