N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine

C30H19NOS — CID 165071492

IUPACN-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine
SMILESc1ccc2c(c1)oc1c(-c3ccc(Nc4cccc5sc6ccccc6c45)cc3)cccc12
InChIInChI=1S/C30H19NOS/c1-3-12-26-22(7-1)23-10-5-9-21(30(23)32-26)19-15-17-20(18-16-19)31-25-11-6-14-28-29(25)24-8-2-4-13-27(24)33-28/h1-18,31H
InChIKeyKAVSSMQQYZWCEQ-UHFFFAOYSA-N
MW441.56 g/mol
LogP9.36
Rot. Bonds3

About N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine

N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine (PubChem CID 165071492) has the molecular formula C30H19NOS and a molecular weight of 441.56 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine
PubChem CID165071492
Molecular FormulaC30H19NOS
Molecular Weight441.56 g/mol
Exact Mass441.12
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine
SMILESc1ccc2c(c1)oc1c(-c3ccc(Nc4cccc5sc6ccccc6c45)cc3)cccc12
InChIInChI=1S/C30H19NOS/c1-3-12-26-22(7-1)23-10-5-9-21(30(23)32-26)19-15-17-20(18-16-19)31-25-11-6-14-28-29(25)24-8-2-4-13-27(24)33-28/h1-18,31H
InChIKeyKAVSSMQQYZWCEQ-UHFFFAOYSA-N
XLogP9.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 59.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-1-amine
CID 164968895
N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167329288
N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine
CID 172539034
N-(4-dibenzofuran-4-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-4-yl-N-phenylaniline
CID 170040489
N-phenyldibenzothiophen-1-amine
CID 126538366
2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155079038
4-dibenzothiophen-1-yl-N-phenylaniline
CID 134240778
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine
CID 177113902
16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130185868
N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 157309066
N-(3-dibenzofuran-4-ylphenyl)-9-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 166775445
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-1-yl-N-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326359

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine (CID 165071492) is N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine is c1ccc2c(c1)oc1c(-c3ccc(Nc4cccc5sc6ccccc6c45)cc3)cccc12.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine?
The InChIKey is KAVSSMQQYZWCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19NOS/c1-3-12-26-22(7-1)23-10-5-9-21(30(23)32-26)19-15-17-20(18-16-19)31-25-11-6-14-28-29(25)24-8-2-4-13-27(24)33-28/h1-18,31H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine?
N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine has a molecular weight of 441.56 g/mol, XLogP of 9.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 165071492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).