N-(2-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine

C39H27NS — CID 164774702

IUPACN-(2-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine
SMILESCc1ccccc1N(c1ccc2ccccc2c1-c1ccc2ccccc2c1)c1cccc2sc3ccccc3c12
InChIInChI=1S/C39H27NS/c1-26-11-2-8-17-33(26)40(34-18-10-20-37-39(34)32-16-7-9-19-36(32)41-37)35-24-23-28-13-5-6-15-31(28)38(35)30-22-21-27-12-3-4-14-29(27)25-30/h2-25H,1H3
InChIKeyKUBJVWDUXKQZGO-UHFFFAOYSA-N
MW541.72 g/mol
LogP11.81
Rot. Bonds4

About N-(2-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine

N-(2-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine (PubChem CID 164774702) has the molecular formula C39H27NS and a molecular weight of 541.72 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine
PubChem CID164774702
Molecular FormulaC39H27NS
Molecular Weight541.72 g/mol
Exact Mass541.19
IUPAC NameN-(2-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine
SMILESCc1ccccc1N(c1ccc2ccccc2c1-c1ccc2ccccc2c1)c1cccc2sc3ccccc3c12
InChIInChI=1S/C39H27NS/c1-26-11-2-8-17-33(26)40(34-18-10-20-37-39(34)32-16-7-9-19-36(32)41-37)35-24-23-28-13-5-6-15-31(28)38(35)30-22-21-27-12-3-4-14-29(27)25-30/h2-25H,1H3
InChIKeyKUBJVWDUXKQZGO-UHFFFAOYSA-N
XLogP11.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.72
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 164774642
N-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine
CID 177097163
N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167324324
4-N-(9-methyldibenzothiophen-3-yl)-1-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 177098553
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
N-(3-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 164774916
N-(2-dibenzothiophen-4-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167326312
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 174256379
1-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 156522856
1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 156522899
N,N-bis(2-methylphenyl)-1-naphthalen-1-ylnaphthalen-2-amine
CID 164774492
N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
CID 167323759

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine?
The IUPAC name of N-(2-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine (CID 164774702) is N-(2-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(2-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine?
The canonical SMILES for N-(2-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine is Cc1ccccc1N(c1ccc2ccccc2c1-c1ccc2ccccc2c1)c1cccc2sc3ccccc3c12.
What is the InChIKey of N-(2-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine?
The InChIKey is KUBJVWDUXKQZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27NS/c1-26-11-2-8-17-33(26)40(34-18-10-20-37-39(34)32-16-7-9-19-36(32)41-37)35-24-23-28-13-5-6-15-31(28)38(35)30-22-21-27-12-3-4-14-29(27)25-30/h2-25H,1H3.
What are the key properties of N-(2-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine?
N-(2-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine has a molecular weight of 541.72 g/mol, XLogP of 11.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine is sourced from PubChem (CID 164774702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).