N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine

C88H60N4O2S3 — CID 157309066

IUPACN-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(Nc3cccc4sc5ccccc5c34)cc2)cc1.c1ccc(Nc2ccc3sc4ccccc4c3c2)cc1.c1ccc2c(Nc3ccc4c(c3)sc3ccccc34)cccc2c1.c1ccc2c(c1)oc1cc(Nc3ccc4oc5ccccc5c4c3)ccc12
InChIInChI=1S/C24H15NO2.C24H17NS.C22H15NS.C18H13NS/c1-3-7-21-17(5-1)19-11-9-16(14-24(19)27-21)25-15-10-12-23-20(13-15)18-6-2-4-8-22(18)26-23;1-2-7-17(8-3-1)18-13-15-19(16-14-18)25-21-10-6-12-23-24(21)20-9-4-5-11-22(20)26-23;1-2-8-17-15(6-1)7-5-10-20(17)23-16-12-13-19-18-9-3-4-11-21(18)24-22(19)14-16;1-2-6-13(7-3-1)19-14-10-11-18-16(12-14)15-8-4-5-9-17(15)20-18/h1-14,25H;1-16,25H;1-14,23H;1-12,19H
InChIKeyBCVDNDHESGBNKW-UHFFFAOYSA-N
MW1301.68 g/mol
LogP27.44
Rot. Bonds9

About N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine

N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 157309066) has the molecular formula C88H60N4O2S3 and a molecular weight of 1301.68 g/mol. Its IUPAC name is N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine
PubChem CID157309066
Molecular FormulaC88H60N4O2S3
Molecular Weight1301.68 g/mol
Exact Mass1300.39
IUPAC NameN-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(Nc3cccc4sc5ccccc5c34)cc2)cc1.c1ccc(Nc2ccc3sc4ccccc4c3c2)cc1.c1ccc2c(Nc3ccc4c(c3)sc3ccccc34)cccc2c1.c1ccc2c(c1)oc1cc(Nc3ccc4oc5ccccc5c4c3)ccc12
InChIInChI=1S/C24H15NO2.C24H17NS.C22H15NS.C18H13NS/c1-3-7-21-17(5-1)19-11-9-16(14-24(19)27-21)25-15-10-12-23-20(13-15)18-6-2-4-8-22(18)26-23;1-2-7-17(8-3-1)18-13-15-19(16-14-18)25-21-10-6-12-23-24(21)20-9-4-5-11-22(20)26-23;1-2-8-17-15(6-1)7-5-10-20(17)23-16-12-13-19-18-9-3-4-11-21(18)24-22(19)14-16;1-2-6-13(7-3-1)19-14-10-11-18-16(12-14)15-8-4-5-9-17(15)20-18/h1-14,25H;1-16,25H;1-14,23H;1-12,19H
InChIKeyBCVDNDHESGBNKW-UHFFFAOYSA-N
XLogP27.44
TPSA74.40 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001301.68
LogP ≤ 527.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine with MolForge

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Launch Full Analysis

Related Compounds

4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)aniline;1-N-dibenzothiophen-4-yl-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;N-dibenzothiophen-3-yldibenzofuran-4-amine;N-naphthalen-1-yl-1-benzofuran-6-amine
CID 165052493
N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-2-amine;N-(4-methoxyphenyl)-4-phenylaniline;N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 158168846
7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131980025
N-(3-dibenzothiophen-2-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163448501
N-(3,5-diphenylphenyl)dibenzothiophen-1-amine;N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(6-phenylnaphthalen-2-yl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 158916839
N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 164973575
N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine
CID 118616822
N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine
CID 165071492
N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine
CID 129082368
N-dibenzothiophen-4-yl-8-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine
CID 159617769
N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 168799176
8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 129194325

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine (CID 157309066) is N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine is c1ccc(-c2ccc(Nc3cccc4sc5ccccc5c34)cc2)cc1.c1ccc(Nc2ccc3sc4ccccc4c3c2)cc1.c1ccc2c(Nc3ccc4c(c3)sc3ccccc34)cccc2c1.c1ccc2c(c1)oc1cc(Nc3ccc4oc5ccccc5c4c3)ccc12.
What is the InChIKey of N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is BCVDNDHESGBNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO2.C24H17NS.C22H15NS.C18H13NS/c1-3-7-21-17(5-1)19-11-9-16(14-24(19)27-21)25-15-10-12-23-20(13-15)18-6-2-4-8-22(18)26-23;1-2-7-17(8-3-1)18-13-15-19(16-14-18)25-21-10-6-12-23-24(21)20-9-4-5-11-22(20)26-23;1-2-8-17-15(6-1)7-5-10-20(17)23-16-12-13-19-18-9-3-4-11-21(18)24-22(19)14-16;1-2-6-13(7-3-1)19-14-10-11-18-16(12-14)15-8-4-5-9-17(15)20-18/h1-14,25H;1-16,25H;1-14,23H;1-12,19H.
What are the key properties of N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine?
N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine has a molecular weight of 1301.68 g/mol, XLogP of 27.44, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 157309066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).