3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine

C48H32N2OS — CID 146574174

IUPAC3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cccc3c2oc2cc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)ccc23)cc1
InChIInChI=1S/C48H32N2OS/c1-4-15-33(16-5-1)38-21-10-12-24-43(38)50(35-19-8-3-9-20-35)44-25-14-23-42-39-29-27-36(31-45(39)51-48(42)44)49(34-17-6-2-7-18-34)37-28-30-41-40-22-11-13-26-46(40)52-47(41)32-37/h1-32H
InChIKeyMDGVVWRJFIHPAU-UHFFFAOYSA-N
MW684.86 g/mol
LogP14.56
Rot. Bonds7

About 3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine

3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine (PubChem CID 146574174) has the molecular formula C48H32N2OS and a molecular weight of 684.86 g/mol. Its IUPAC name is 3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine.

Molecular Properties

Compound Name3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine
PubChem CID146574174
Molecular FormulaC48H32N2OS
Molecular Weight684.86 g/mol
Exact Mass684.22
IUPAC Name3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cccc3c2oc2cc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)ccc23)cc1
InChIInChI=1S/C48H32N2OS/c1-4-15-33(16-5-1)38-21-10-12-24-43(38)50(35-19-8-3-9-20-35)44-25-14-23-42-39-29-27-36(31-45(39)51-48(42)44)49(34-17-6-2-7-18-34)37-28-30-41-40-22-11-13-26-46(40)52-47(41)32-37/h1-32H
InChIKeyMDGVVWRJFIHPAU-UHFFFAOYSA-N
XLogP14.56
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.86
LogP ≤ 514.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-dibenzothiophen-3-yl-3-N,6-N,6-N-triphenyldibenzofuran-3,6-diamine
CID 146574170
5-N-dibenzofuran-3-yl-18-N-dibenzofuran-4-yl-5-N,18-N-bis(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;5-N-dibenzofuran-3-yl-18-N-dibenzofuran-4-yl-5-N-phenyl-18-N-(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;18-N-dibenzofuran-4-yl-5-N-dibenzothiophen-2-yl-5-N,18-N-bis(2-phenylphenyl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 158660183
N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397265
N-dibenzothiophen-2-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 163977940
N-dibenzofuran-3-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine;N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 158642581
N-dibenzothiophen-3-yl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine
CID 140943740
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502531
N-dibenzothiophen-3-yl-N-phenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-amine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N,12,24-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-dinaphthalen-2-yl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
CID 163578656
N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163957586
N-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
CID 170666068
5-N-dibenzothiophen-2-yl-18-N-(4-methylphenyl)-18-N-phenyl-5-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121275539
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 170096072

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine?
The IUPAC name of 3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine (CID 146574174) is 3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine.
What is the SMILES notation for 3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine?
The canonical SMILES for 3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine is c1ccc(-c2ccccc2N(c2ccccc2)c2cccc3c2oc2cc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)ccc23)cc1.
What is the InChIKey of 3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine?
The InChIKey is MDGVVWRJFIHPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2OS/c1-4-15-33(16-5-1)38-21-10-12-24-43(38)50(35-19-8-3-9-20-35)44-25-14-23-42-39-29-27-36(31-45(39)51-48(42)44)49(34-17-6-2-7-18-34)37-28-30-41-40-22-11-13-26-46(40)52-47(41)32-37/h1-32H.
What are the key properties of 3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine?
3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine has a molecular weight of 684.86 g/mol, XLogP of 14.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine is sourced from PubChem (CID 146574174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).