N-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine

C42H27NOS — CID 171434947

IUPACN-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine
SMILESc1ccc(-c2ccc3c(sc4ccccc43)c2N(c2ccccc2)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C42H27NOS/c1-3-11-29(12-4-1)33-24-25-36-35-16-8-10-18-40(35)45-42(36)41(33)43(31-13-5-2-6-14-31)32-22-19-28(20-23-32)30-21-26-39-37(27-30)34-15-7-9-17-38(34)44-39/h1-27H
InChIKeyRFCSUABKKAZDSX-UHFFFAOYSA-N
MW593.75 g/mol
LogP12.76
Rot. Bonds5

About N-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine

N-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine (PubChem CID 171434947) has the molecular formula C42H27NOS and a molecular weight of 593.75 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine
PubChem CID171434947
Molecular FormulaC42H27NOS
Molecular Weight593.75 g/mol
Exact Mass593.18
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine
SMILESc1ccc(-c2ccc3c(sc4ccccc43)c2N(c2ccccc2)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C42H27NOS/c1-3-11-29(12-4-1)33-24-25-36-35-16-8-10-18-40(35)45-42(36)41(33)43(31-13-5-2-6-14-31)32-22-19-28(20-23-32)30-21-26-39-37(27-30)34-15-7-9-17-38(34)44-39/h1-27H
InChIKeyRFCSUABKKAZDSX-UHFFFAOYSA-N
XLogP12.76
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.75
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-phenyldibenzothiophen-4-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 171435219
N-(3-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 171434810
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-3-phenyldibenzothiophen-4-amine
CID 171435403
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 171435473
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435440
17-phenyl-N,N-bis(4-phenylphenyl)-9-oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-16-amine
CID 170536107
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118428221
3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428297
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-(3-dibenzothiophen-4-ylphenyl)aniline
CID 118428359
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435294
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428274
3-phenyl-N-[4-(6-phenyldibenzothiophen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171434586

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine (CID 171434947) is N-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine is c1ccc(-c2ccc3c(sc4ccccc43)c2N(c2ccccc2)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine?
The InChIKey is RFCSUABKKAZDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NOS/c1-3-11-29(12-4-1)33-24-25-36-35-16-8-10-18-40(35)45-42(36)41(33)43(31-13-5-2-6-14-31)32-22-19-28(20-23-32)30-21-26-39-37(27-30)34-15-7-9-17-38(34)44-39/h1-27H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine?
N-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine has a molecular weight of 593.75 g/mol, XLogP of 12.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N,3-diphenyldibenzothiophen-4-amine is sourced from PubChem (CID 171434947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).