N-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine

C42H27NS2 — CID 171434642

IUPACN-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2N(c2c(-c3ccccc3)ccc3c2sc2ccccc23)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C42H27NS2/c1-3-14-28(15-4-1)30-18-7-10-21-35(30)43(36-22-13-25-39-40(36)34-20-9-12-24-38(34)44-39)41-31(29-16-5-2-6-17-29)26-27-33-32-19-8-11-23-37(32)45-42(33)41/h1-27H
InChIKeyASENAMHYYYFKLW-UHFFFAOYSA-N
MW609.82 g/mol
LogP13.23
Rot. Bonds5

About N-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine

N-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 171434642) has the molecular formula C42H27NS2 and a molecular weight of 609.82 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
PubChem CID171434642
Molecular FormulaC42H27NS2
Molecular Weight609.82 g/mol
Exact Mass609.16
IUPAC NameN-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
SMILESc1ccc(-c2ccccc2N(c2c(-c3ccccc3)ccc3c2sc2ccccc23)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C42H27NS2/c1-3-14-28(15-4-1)30-18-7-10-21-35(30)43(36-22-13-25-39-40(36)34-20-9-12-24-38(34)44-39)41-31(29-16-5-2-6-17-29)26-27-33-32-19-8-11-23-37(32)45-42(33)41/h1-27H
InChIKeyASENAMHYYYFKLW-UHFFFAOYSA-N
XLogP13.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.82
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-1-yl-N,3-diphenyldibenzothiophen-4-amine
CID 171435323
N-(4-dibenzothiophen-1-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435085
N-dibenzofuran-1-yl-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
CID 171435164
N-dibenzothiophen-4-yl-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 171435004
N-[3-[3-(N-dibenzothiophen-1-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 167086970
N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 168791054
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzothiophen-4-amine
CID 171435299
N-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 171434825
N-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine
CID 167396471
N-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine
CID 167325431
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435440
2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)-N,N-bis(4-phenylphenyl)aniline
CID 165023015

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine (CID 171434642) is N-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine is c1ccc(-c2ccccc2N(c2c(-c3ccccc3)ccc3c2sc2ccccc23)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is ASENAMHYYYFKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NS2/c1-3-14-28(15-4-1)30-18-7-10-21-35(30)43(36-22-13-25-39-40(36)34-20-9-12-24-38(34)44-39)41-31(29-16-5-2-6-17-29)26-27-33-32-19-8-11-23-37(32)45-42(33)41/h1-27H.
What are the key properties of N-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine?
N-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 609.82 g/mol, XLogP of 13.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-3-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 171434642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).