N-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine

C42H25NS3 — CID 167396471

IUPACN-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc5c(c4)sc4ccccc45)c4cccc5sc6ccccc6c45)cccc23)cc1
InChIInChI=1S/C42H25NS3/c1-2-11-26(12-3-1)28-15-8-16-31-32-17-9-19-35(42(32)46-41(28)31)43(27-23-24-30-29-13-4-6-20-36(29)45-39(30)25-27)34-18-10-22-38-40(34)33-14-5-7-21-37(33)44-38/h1-25H
InChIKeyCEOSBNGAZSOQMY-UHFFFAOYSA-N
MW639.87 g/mol
LogP13.93
Rot. Bonds4

About N-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine

N-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine (PubChem CID 167396471) has the molecular formula C42H25NS3 and a molecular weight of 639.87 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine
PubChem CID167396471
Molecular FormulaC42H25NS3
Molecular Weight639.87 g/mol
Exact Mass639.11
IUPAC NameN-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc5c(c4)sc4ccccc45)c4cccc5sc6ccccc6c45)cccc23)cc1
InChIInChI=1S/C42H25NS3/c1-2-11-26(12-3-1)28-15-8-16-31-32-17-9-19-35(42(32)46-41(28)31)43(27-23-24-30-29-13-4-6-20-36(29)45-39(30)25-27)34-18-10-22-38-40(34)33-14-5-7-21-37(33)44-38/h1-25H
InChIKeyCEOSBNGAZSOQMY-UHFFFAOYSA-N
XLogP13.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.87
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396270
N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167396935
N-dibenzothiophen-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzothiophen-4-amine
CID 165092142
N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397265
N-dibenzothiophen-4-yl-6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 153434003
6-N-dibenzothiophen-3-yl-4-N,4-N-diphenyl-6-N-(4-phenylphenyl)dibenzothiophene-4,6-diamine
CID 146576004
N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
CID 167397452
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
N-[3-[3-(N-dibenzothiophen-1-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 167086970
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167397750
N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396642
N,N-bis[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744357

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine (CID 167396471) is N-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine is c1ccc(-c2cccc3c2sc2c(N(c4ccc5c(c4)sc4ccccc45)c4cccc5sc6ccccc6c45)cccc23)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine?
The InChIKey is CEOSBNGAZSOQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NS3/c1-2-11-26(12-3-1)28-15-8-16-31-32-17-9-19-35(42(32)46-41(28)31)43(27-23-24-30-29-13-4-6-20-36(29)45-39(30)25-27)34-18-10-22-38-40(34)33-14-5-7-21-37(33)44-38/h1-25H.
What are the key properties of N-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine?
N-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine has a molecular weight of 639.87 g/mol, XLogP of 13.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 167396471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).