N-(3-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-1-amine

C39H27NS — CID 164774916

IUPACN-(3-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-1-amine
SMILESCc1cccc(N(c2ccc3ccccc3c2-c2cccc3ccccc23)c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C39H27NS/c1-26-11-8-15-29(25-26)40(34-20-10-22-37-39(34)33-18-6-7-21-36(33)41-37)35-24-23-28-13-3-5-17-31(28)38(35)32-19-9-14-27-12-2-4-16-30(27)32/h2-25H,1H3
InChIKeyBZZRXWFRPDSDQT-UHFFFAOYSA-N
MW541.72 g/mol
LogP11.81
Rot. Bonds4

About N-(3-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-1-amine

N-(3-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-1-amine (PubChem CID 164774916) has the molecular formula C39H27NS and a molecular weight of 541.72 g/mol. Its IUPAC name is N-(3-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-1-amine
PubChem CID164774916
Molecular FormulaC39H27NS
Molecular Weight541.72 g/mol
Exact Mass541.19
IUPAC NameN-(3-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-1-amine
SMILESCc1cccc(N(c2ccc3ccccc3c2-c2cccc3ccccc23)c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C39H27NS/c1-26-11-8-15-29(25-26)40(34-20-10-22-37-39(34)33-18-6-7-21-36(33)41-37)35-24-23-28-13-3-5-17-31(28)38(35)32-19-9-14-27-12-2-4-16-30(27)32/h2-25H,1H3
InChIKeyBZZRXWFRPDSDQT-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,N-bis(3-methylphenyl)-1-naphthalen-1-ylnaphthalen-2-amine
CID 164774001
N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 164774692
1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene
CID 59195925
N-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 168788625
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 167324190
N-(2-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 164774702
N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325385
N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 164774642
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-N-triphenylen-2-yldibenzothiophen-1-amine
CID 168846152
N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167324324
1-naphthalen-1-yl-N,N-dinaphthalen-2-ylnaphthalen-2-amine
CID 164774198
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167235577

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-1-amine?
The IUPAC name of N-(3-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-1-amine (CID 164774916) is N-(3-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(3-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-1-amine?
The canonical SMILES for N-(3-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-1-amine is Cc1cccc(N(c2ccc3ccccc3c2-c2cccc3ccccc23)c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of N-(3-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-1-amine?
The InChIKey is BZZRXWFRPDSDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27NS/c1-26-11-8-15-29(25-26)40(34-20-10-22-37-39(34)33-18-6-7-21-36(33)41-37)35-24-23-28-13-3-5-17-31(28)38(35)32-19-9-14-27-12-2-4-16-30(27)32/h2-25H,1H3.
What are the key properties of N-(3-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-1-amine?
N-(3-methylphenyl)-N-(1-naphthalen-1-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-(3-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-1-amine is sourced from PubChem (CID 164774916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).