N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine

C42H25NOS2 — CID 167397265

IUPACN-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc5c(c4)sc4ccccc45)c4cccc5c4oc4ccccc45)cccc23)cc1
InChIInChI=1S/C42H25NOS2/c1-2-11-26(12-3-1)28-15-8-17-33-34-18-10-20-36(42(34)46-41(28)33)43(27-23-24-31-30-14-5-7-22-38(30)45-39(31)25-27)35-19-9-16-32-29-13-4-6-21-37(29)44-40(32)35/h1-25H
InChIKeyDYARPKJRFGZKOM-UHFFFAOYSA-N
MW623.80 g/mol
LogP13.46
Rot. Bonds4

About N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine

N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine (PubChem CID 167397265) has the molecular formula C42H25NOS2 and a molecular weight of 623.80 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
PubChem CID167397265
Molecular FormulaC42H25NOS2
Molecular Weight623.80 g/mol
Exact Mass623.14
IUPAC NameN-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc5c(c4)sc4ccccc45)c4cccc5c4oc4ccccc45)cccc23)cc1
InChIInChI=1S/C42H25NOS2/c1-2-11-26(12-3-1)28-15-8-17-33-34-18-10-20-36(42(34)46-41(28)33)43(27-23-24-31-30-14-5-7-22-38(30)45-39(31)25-27)35-19-9-16-32-29-13-4-6-21-37(29)44-40(32)35/h1-25H
InChIKeyDYARPKJRFGZKOM-UHFFFAOYSA-N
XLogP13.46
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.80
LogP ≤ 513.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397233
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
N-(6-phenyldibenzothiophen-4-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167397269
3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine
CID 146574174
N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396642
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
CID 164971694
N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396270
N-dibenzofuran-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]dibenzofuran-4-amine
CID 164988843
N-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine
CID 167396471
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397285
N-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
CID 170666068
N-dibenzothiophen-3-yl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine
CID 140943740

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine (CID 167397265) is N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine is c1ccc(-c2cccc3c2sc2c(N(c4ccc5c(c4)sc4ccccc45)c4cccc5c4oc4ccccc45)cccc23)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine?
The InChIKey is DYARPKJRFGZKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NOS2/c1-2-11-26(12-3-1)28-15-8-17-33-34-18-10-20-36(42(34)46-41(28)33)43(27-23-24-31-30-14-5-7-22-38(30)45-39(31)25-27)35-19-9-16-32-29-13-4-6-21-37(29)44-40(32)35/h1-25H.
What are the key properties of N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine?
N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine has a molecular weight of 623.80 g/mol, XLogP of 13.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine is sourced from PubChem (CID 167397265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).