N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine

C40H27NS — CID 167235577

IUPACN-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccccc2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C40H27NS/c1-3-13-29(14-4-1)34-26-25-30(33-21-11-16-28-15-7-8-19-32(28)33)27-37(34)41(31-17-5-2-6-18-31)36-22-12-24-39-40(36)35-20-9-10-23-38(35)42-39/h1-27H
InChIKeyMNTASQBMZYESLX-UHFFFAOYSA-N
MW553.73 g/mol
LogP12.01
Rot. Bonds5

About N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine

N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine (PubChem CID 167235577) has the molecular formula C40H27NS and a molecular weight of 553.73 g/mol. Its IUPAC name is N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine
PubChem CID167235577
Molecular FormulaC40H27NS
Molecular Weight553.73 g/mol
Exact Mass553.19
IUPAC NameN-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccccc2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C40H27NS/c1-3-13-29(14-4-1)34-26-25-30(33-21-11-16-28-15-7-8-19-32(28)33)27-37(34)41(31-17-5-2-6-18-31)36-22-12-24-39-40(36)35-20-9-10-23-38(35)42-39/h1-27H
InChIKeyMNTASQBMZYESLX-UHFFFAOYSA-N
XLogP12.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.73
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167234172
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 167324190
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 154605549
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 169061858
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167234762
3-dibenzothiophen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767639
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167236356
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline
CID 167236233
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167326162
N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
CID 167234079
N-(2-dibenzothiophen-4-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235510

Frequently Asked Questions

What is the IUPAC name of N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine?
The IUPAC name of N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine (CID 167235577) is N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine.
What is the SMILES notation for N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine?
The canonical SMILES for N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine is c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccccc2)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine?
The InChIKey is MNTASQBMZYESLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NS/c1-3-13-29(14-4-1)34-26-25-30(33-21-11-16-28-15-7-8-19-32(28)33)27-37(34)41(31-17-5-2-6-18-31)36-22-12-24-39-40(36)35-20-9-10-23-38(35)42-39/h1-27H.
What are the key properties of N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine?
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine has a molecular weight of 553.73 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine is sourced from PubChem (CID 167235577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).