N-[4-(4-methylnaphthalen-1-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine

C55H37NS — CID 166589537

IUPACN-[4-(4-methylnaphthalen-1-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
SMILESCc1ccc(-c2cc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3cccc4c3sc3ccccc34)cc3ccccc23)c2ccccc12
InChIInChI=1S/C55H37NS/c1-36-28-33-48(47-21-8-7-19-43(36)47)51-35-42(34-40-16-5-6-20-44(40)51)56(52-26-13-25-50-49-22-9-10-27-53(49)57-55(50)52)41-31-29-38(30-32-41)46-24-12-18-39-17-11-23-45(54(39)46)37-14-3-2-4-15-37/h2-35H,1H3
InChIKeyLKCRUNSYQZIMJS-UHFFFAOYSA-N
MW743.98 g/mol
LogP16.29
Rot. Bonds6

About N-[4-(4-methylnaphthalen-1-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine

N-[4-(4-methylnaphthalen-1-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 166589537) has the molecular formula C55H37NS and a molecular weight of 743.98 g/mol. Its IUPAC name is N-[4-(4-methylnaphthalen-1-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[4-(4-methylnaphthalen-1-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
PubChem CID166589537
Molecular FormulaC55H37NS
Molecular Weight743.98 g/mol
Exact Mass743.26
IUPAC NameN-[4-(4-methylnaphthalen-1-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
SMILESCc1ccc(-c2cc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3cccc4c3sc3ccccc34)cc3ccccc23)c2ccccc12
InChIInChI=1S/C55H37NS/c1-36-28-33-48(47-21-8-7-19-43(36)47)51-35-42(34-40-16-5-6-20-44(40)51)56(52-26-13-25-50-49-22-9-10-27-53(49)57-55(50)52)41-31-29-38(30-32-41)46-24-12-18-39-17-11-23-45(54(39)46)37-14-3-2-4-15-37/h2-35H,1H3
InChIKeyLKCRUNSYQZIMJS-UHFFFAOYSA-N
XLogP16.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.98
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139355171
N-(3,4-diphenylphenyl)-N-[4-(3-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 177080777
N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 166589707
N-[4-(4-methyl-8-phenylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589694
N-(4-naphthalen-1-ylphenyl)-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605660
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167397345
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605620
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718869
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397362
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
N-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167222224

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylnaphthalen-1-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-[4-(4-methylnaphthalen-1-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine (CID 166589537) is N-[4-(4-methylnaphthalen-1-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-[4-(4-methylnaphthalen-1-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-[4-(4-methylnaphthalen-1-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine is Cc1ccc(-c2cc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3cccc4c3sc3ccccc34)cc3ccccc23)c2ccccc12.
What is the InChIKey of N-[4-(4-methylnaphthalen-1-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is LKCRUNSYQZIMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NS/c1-36-28-33-48(47-21-8-7-19-43(36)47)51-35-42(34-40-16-5-6-20-44(40)51)56(52-26-13-25-50-49-22-9-10-27-53(49)57-55(50)52)41-31-29-38(30-32-41)46-24-12-18-39-17-11-23-45(54(39)46)37-14-3-2-4-15-37/h2-35H,1H3.
What are the key properties of N-[4-(4-methylnaphthalen-1-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine?
N-[4-(4-methylnaphthalen-1-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 743.98 g/mol, XLogP of 16.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylnaphthalen-1-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 166589537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).