N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine

C42H25NOS2 — CID 167396270

IUPACN-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc5oc6ccccc6c5c4)c4cccc5sc6ccccc6c45)cccc23)cc1
InChIInChI=1S/C42H25NOS2/c1-2-11-26(12-3-1)28-15-8-16-30-31-17-9-19-35(42(31)46-41(28)30)43(27-23-24-37-33(25-27)29-13-4-6-20-36(29)44-37)34-18-10-22-39-40(34)32-14-5-7-21-38(32)45-39/h1-25H
InChIKeyPZRRFWMATPLYGB-UHFFFAOYSA-N
MW623.80 g/mol
LogP13.46
Rot. Bonds4

About N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine

N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine (PubChem CID 167396270) has the molecular formula C42H25NOS2 and a molecular weight of 623.80 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
PubChem CID167396270
Molecular FormulaC42H25NOS2
Molecular Weight623.80 g/mol
Exact Mass623.14
IUPAC NameN-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
SMILESc1ccc(-c2cccc3c2sc2c(N(c4ccc5oc6ccccc6c5c4)c4cccc5sc6ccccc6c45)cccc23)cc1
InChIInChI=1S/C42H25NOS2/c1-2-11-26(12-3-1)28-15-8-16-30-31-17-9-19-35(42(31)46-41(28)30)43(27-23-24-37-33(25-27)29-13-4-6-20-36(29)44-37)34-18-10-22-39-40(34)32-14-5-7-21-38(32)45-39/h1-25H
InChIKeyPZRRFWMATPLYGB-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-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
CID 167397452
N-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine
CID 167396471
N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396642
N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397265
N-(4-dibenzothiophen-4-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
CID 167397298
N-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 171435319
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503042
N-dibenzofuran-3-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-3-amine
CID 164988844
N-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167396586
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 164955606
N-(6-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-amine
CID 146494387
N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine
CID 171435150

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine (CID 167396270) is N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine is c1ccc(-c2cccc3c2sc2c(N(c4ccc5oc6ccccc6c5c4)c4cccc5sc6ccccc6c45)cccc23)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine?
The InChIKey is PZRRFWMATPLYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NOS2/c1-2-11-26(12-3-1)28-15-8-16-30-31-17-9-19-35(42(31)46-41(28)30)43(27-23-24-37-33(25-27)29-13-4-6-20-36(29)44-37)34-18-10-22-39-40(34)32-14-5-7-21-38(32)45-39/h1-25H.
What are the key properties of N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine?
N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-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-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine is sourced from PubChem (CID 167396270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).