3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine

C120H78N6OS5 — CID 160969253

IUPAC3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine
SMILESc1ccc(N(c2cc(N(c3ccccc3)c3ccc4c(c3)sc3ccccc34)c3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)cc1
InChIInChI=1S/C60H39N3OS2.C60H39N3S3/c1-5-17-40(18-6-1)61(41-19-7-2-8-20-41)44-30-34-58-52(36-44)60-53(63(43-23-11-4-12-24-43)45-31-33-57-51(35-45)50-26-14-16-28-56(50)65-57)37-47(39-59(60)66-58)62(42-21-9-3-10-22-42)46-29-32-49-48-25-13-15-27-54(48)64-55(49)38-46;1-5-17-40(18-6-1)61(41-19-7-2-8-20-41)45-31-34-57-52(36-45)60-53(63(43-23-11-4-12-24-43)46-29-32-50-48-25-13-15-27-54(48)65-58(50)38-46)37-47(39-59(60)66-57)62(42-21-9-3-10-22-42)44-30-33-56-51(35-44)49-26-14-16-28-55(49)64-56/h2*1-39H
InChIKeySYAULLFOPLAVIC-UHFFFAOYSA-N
MW1780.32 g/mol
LogP37.93
Rot. Bonds18

About 3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine

3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine (PubChem CID 160969253) has the molecular formula C120H78N6OS5 and a molecular weight of 1780.32 g/mol. Its IUPAC name is 3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine.

Molecular Properties

Compound Name3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine
PubChem CID160969253
Molecular FormulaC120H78N6OS5
Molecular Weight1780.32 g/mol
Exact Mass1778.48
IUPAC Name3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine
SMILESc1ccc(N(c2cc(N(c3ccccc3)c3ccc4c(c3)sc3ccccc34)c3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)cc1
InChIInChI=1S/C60H39N3OS2.C60H39N3S3/c1-5-17-40(18-6-1)61(41-19-7-2-8-20-41)44-30-34-58-52(36-44)60-53(63(43-23-11-4-12-24-43)45-31-33-57-51(35-45)50-26-14-16-28-56(50)65-57)37-47(39-59(60)66-58)62(42-21-9-3-10-22-42)46-29-32-49-48-25-13-15-27-54(48)64-55(49)38-46;1-5-17-40(18-6-1)61(41-19-7-2-8-20-41)45-31-34-57-52(36-45)60-53(63(43-23-11-4-12-24-43)46-29-32-50-48-25-13-15-27-54(48)65-58(50)38-46)37-47(39-59(60)66-57)62(42-21-9-3-10-22-42)44-30-33-56-51(35-44)49-26-14-16-28-55(49)64-56/h2*1-39H
InChIKeySYAULLFOPLAVIC-UHFFFAOYSA-N
XLogP37.93
TPSA32.58 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001780.32
LogP ≤ 537.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine with MolForge

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Related Compounds

3-N-dibenzothiophen-3-yl-1-N,1-N,3-N,8-N,8-N-pentakis-phenyldibenzofuran-1,3,8-triamine
CID 155173000
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
1-N-dibenzofuran-3-yl-1-N,8-N,8-N-triphenyldibenzothiophene-1,8-diamine
CID 146580399
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
7-N-dibenzofuran-2-yl-19-N-dibenzothiophen-2-yl-7-N,19-N-diphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 146694397
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
6-N,18-N-di(dibenzofuran-3-yl)-6-N,18-N-diphenyl-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-6,18-diamine
CID 149289463
2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine
CID 170410775
5-[7-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]dibenzofuran-2-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588601
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzofuran-3-amine
CID 153299753
7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine
CID 166917120

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine?
The IUPAC name of 3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine (CID 160969253) is 3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine.
What is the SMILES notation for 3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine?
The canonical SMILES for 3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine is c1ccc(N(c2cc(N(c3ccccc3)c3ccc4c(c3)sc3ccccc34)c3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c3c(c2)sc2ccc(N(c4ccccc4)c4ccccc4)cc23)cc1.
What is the InChIKey of 3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine?
The InChIKey is SYAULLFOPLAVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3OS2.C60H39N3S3/c1-5-17-40(18-6-1)61(41-19-7-2-8-20-41)44-30-34-58-52(36-44)60-53(63(43-23-11-4-12-24-43)45-31-33-57-51(35-45)50-26-14-16-28-56(50)65-57)37-47(39-59(60)66-58)62(42-21-9-3-10-22-42)46-29-32-49-48-25-13-15-27-54(48)64-55(49)38-46;1-5-17-40(18-6-1)61(41-19-7-2-8-20-41)45-31-34-57-52(36-45)60-53(63(43-23-11-4-12-24-43)46-29-32-50-48-25-13-15-27-54(48)65-58(50)38-46)37-47(39-59(60)66-57)62(42-21-9-3-10-22-42)44-30-33-56-51(35-44)49-26-14-16-28-55(49)64-56/h2*1-39H.
What are the key properties of 3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine?
3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine has a molecular weight of 1780.32 g/mol, XLogP of 37.93, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine is sourced from PubChem (CID 160969253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).