3-N-dibenzothiophen-1-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;3-N-dibenzothiophen-4-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyl-9-[4-(N-phenylanilino)phenyl]dibenzofuran-2,7-diamine

C192H131N9O3S3 — CID 158125494

IUPAC3-N-dibenzothiophen-1-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;3-N-dibenzothiophen-4-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyl-9-[4-(N-phenylanilino)phenyl]dibenzofuran-2,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc4oc5ccc(N(c6ccccc6)c6ccccc6)cc5c34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccccc4)c4cccc5sc6ccccc6c45)cc4oc5ccc(N(c6ccccc6)c6ccccc6)cc5c34)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc4oc5ccc(N(c6ccccc6)c6ccccc6)cc5c34)cc2)cc1
InChIInChI=1S/2C66H45N3OS.C60H41N3OS/c1-6-19-46(20-7-1)48-33-37-53(38-34-48)68(54-39-35-49(36-40-54)47-21-8-2-9-22-47)61-44-56(69(52-27-14-5-15-28-52)60-31-18-30-58-57-29-16-17-32-64(57)71-66(58)60)45-63-65(61)59-43-55(41-42-62(59)70-63)67(50-23-10-3-11-24-50)51-25-12-4-13-26-51;1-6-19-46(20-7-1)48-33-37-53(38-34-48)68(54-39-35-49(36-40-54)47-21-8-2-9-22-47)60-44-56(69(52-27-14-5-15-28-52)59-30-18-32-64-66(59)57-29-16-17-31-63(57)71-64)45-62-65(60)58-43-55(41-42-61(58)70-62)67(50-23-10-3-11-24-50)51-25-12-4-13-26-51;1-6-18-43(19-7-1)61(44-20-8-2-9-21-44)48-32-30-42(31-33-48)53-40-51(63(47-26-14-5-15-27-47)50-35-37-59-54(38-50)52-28-16-17-29-58(52)65-59)41-57-60(53)55-39-49(34-36-56(55)64-57)62(45-22-10-3-11-23-45)46-24-12-4-13-25-46/h2*1-45H;1-41H
InChIKeyFSCSIIHQKLUECO-UHFFFAOYSA-N
MW2708.42 g/mol
LogP57.42
Rot. Bonds32

About 3-N-dibenzothiophen-1-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;3-N-dibenzothiophen-4-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyl-9-[4-(N-phenylanilino)phenyl]dibenzofuran-2,7-diamine

3-N-dibenzothiophen-1-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;3-N-dibenzothiophen-4-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyl-9-[4-(N-phenylanilino)phenyl]dibenzofuran-2,7-diamine (PubChem CID 158125494) has the molecular formula C192H131N9O3S3 and a molecular weight of 2708.42 g/mol. Its IUPAC name is 3-N-dibenzothiophen-1-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;3-N-dibenzothiophen-4-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyl-9-[4-(N-phenylanilino)phenyl]dibenzofuran-2,7-diamine.

Molecular Properties

Compound Name3-N-dibenzothiophen-1-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;3-N-dibenzothiophen-4-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyl-9-[4-(N-phenylanilino)phenyl]dibenzofuran-2,7-diamine
PubChem CID158125494
Molecular FormulaC192H131N9O3S3
Molecular Weight2708.42 g/mol
Exact Mass2705.95
IUPAC Name3-N-dibenzothiophen-1-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;3-N-dibenzothiophen-4-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyl-9-[4-(N-phenylanilino)phenyl]dibenzofuran-2,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc4oc5ccc(N(c6ccccc6)c6ccccc6)cc5c34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccccc4)c4cccc5sc6ccccc6c45)cc4oc5ccc(N(c6ccccc6)c6ccccc6)cc5c34)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc4oc5ccc(N(c6ccccc6)c6ccccc6)cc5c34)cc2)cc1
InChIInChI=1S/2C66H45N3OS.C60H41N3OS/c1-6-19-46(20-7-1)48-33-37-53(38-34-48)68(54-39-35-49(36-40-54)47-21-8-2-9-22-47)61-44-56(69(52-27-14-5-15-28-52)60-31-18-30-58-57-29-16-17-32-64(57)71-66(58)60)45-63-65(61)59-43-55(41-42-62(59)70-63)67(50-23-10-3-11-24-50)51-25-12-4-13-26-51;1-6-19-46(20-7-1)48-33-37-53(38-34-48)68(54-39-35-49(36-40-54)47-21-8-2-9-22-47)60-44-56(69(52-27-14-5-15-28-52)59-30-18-32-64-66(59)57-29-16-17-31-63(57)71-64)45-62-65(60)58-43-55(41-42-61(58)70-62)67(50-23-10-3-11-24-50)51-25-12-4-13-26-51;1-6-18-43(19-7-1)61(44-20-8-2-9-21-44)48-32-30-42(31-33-48)53-40-51(63(47-26-14-5-15-27-47)50-35-37-59-54(38-50)52-28-16-17-29-58(52)65-59)41-57-60(53)55-39-49(34-36-56(55)64-57)62(45-22-10-3-11-23-45)46-24-12-4-13-25-46/h2*1-45H;1-41H
InChIKeyFSCSIIHQKLUECO-UHFFFAOYSA-N
XLogP57.42
TPSA68.58 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds32
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002708.42
LogP ≤ 557.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3-N-dibenzothiophen-1-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;3-N-dibenzothiophen-4-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyl-9-[4-(N-phenylanilino)phenyl]dibenzofuran-2,7-diamine with MolForge

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Related Compounds

1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine
CID 146550689
1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine
CID 163676818
7-N-dibenzofuran-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N-(4-naphthalen-1-ylphenyl)-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 167608369
3-N-dibenzothiophen-3-yl-1-N,1-N,3-N,8-N,8-N-pentakis-phenyldibenzofuran-1,3,8-triamine
CID 155173000
7-N-dibenzothiophen-1-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-phenanthren-2-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 159620715
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 164955606
9-N-dibenzothiophen-4-yl-11-N-phenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
CID 166856138
1-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,7-diamine
CID 146574153
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159690784
1-N,1-N,3-N-triphenyl-3-N-[6-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine
CID 146550696
1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605120
N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164985244

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzothiophen-1-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;3-N-dibenzothiophen-4-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyl-9-[4-(N-phenylanilino)phenyl]dibenzofuran-2,7-diamine?
The IUPAC name of 3-N-dibenzothiophen-1-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;3-N-dibenzothiophen-4-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyl-9-[4-(N-phenylanilino)phenyl]dibenzofuran-2,7-diamine (CID 158125494) is 3-N-dibenzothiophen-1-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;3-N-dibenzothiophen-4-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyl-9-[4-(N-phenylanilino)phenyl]dibenzofuran-2,7-diamine.
What is the SMILES notation for 3-N-dibenzothiophen-1-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;3-N-dibenzothiophen-4-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyl-9-[4-(N-phenylanilino)phenyl]dibenzofuran-2,7-diamine?
The canonical SMILES for 3-N-dibenzothiophen-1-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;3-N-dibenzothiophen-4-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyl-9-[4-(N-phenylanilino)phenyl]dibenzofuran-2,7-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc4oc5ccc(N(c6ccccc6)c6ccccc6)cc5c34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccccc4)c4cccc5sc6ccccc6c45)cc4oc5ccc(N(c6ccccc6)c6ccccc6)cc5c34)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)cc4oc5ccc(N(c6ccccc6)c6ccccc6)cc5c34)cc2)cc1.
What is the InChIKey of 3-N-dibenzothiophen-1-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;3-N-dibenzothiophen-4-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyl-9-[4-(N-phenylanilino)phenyl]dibenzofuran-2,7-diamine?
The InChIKey is FSCSIIHQKLUECO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C66H45N3OS.C60H41N3OS/c1-6-19-46(20-7-1)48-33-37-53(38-34-48)68(54-39-35-49(36-40-54)47-21-8-2-9-22-47)61-44-56(69(52-27-14-5-15-28-52)60-31-18-30-58-57-29-16-17-32-64(57)71-66(58)60)45-63-65(61)59-43-55(41-42-62(59)70-63)67(50-23-10-3-11-24-50)51-25-12-4-13-26-51;1-6-19-46(20-7-1)48-33-37-53(38-34-48)68(54-39-35-49(36-40-54)47-21-8-2-9-22-47)60-44-56(69(52-27-14-5-15-28-52)59-30-18-32-64-66(59)57-29-16-17-31-63(57)71-64)45-62-65(60)58-43-55(41-42-61(58)70-62)67(50-23-10-3-11-24-50)51-25-12-4-13-26-51;1-6-18-43(19-7-1)61(44-20-8-2-9-21-44)48-32-30-42(31-33-48)53-40-51(63(47-26-14-5-15-27-47)50-35-37-59-54(38-50)52-28-16-17-29-58(52)65-59)41-57-60(53)55-39-49(34-36-56(55)64-57)62(45-22-10-3-11-23-45)46-24-12-4-13-25-46/h2*1-45H;1-41H.
What are the key properties of 3-N-dibenzothiophen-1-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;3-N-dibenzothiophen-4-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyl-9-[4-(N-phenylanilino)phenyl]dibenzofuran-2,7-diamine?
3-N-dibenzothiophen-1-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;3-N-dibenzothiophen-4-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyl-9-[4-(N-phenylanilino)phenyl]dibenzofuran-2,7-diamine has a molecular weight of 2708.42 g/mol, XLogP of 57.42, 32 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzothiophen-1-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;3-N-dibenzothiophen-4-yl-3-N,8-N,8-N-triphenyl-1-N,1-N-bis(4-phenylphenyl)dibenzofuran-1,3,8-triamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyl-9-[4-(N-phenylanilino)phenyl]dibenzofuran-2,7-diamine is sourced from PubChem (CID 158125494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).