9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine

C232H160N8S4 — CID 162004042

IUPAC9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine
SMILES[2H]c1c([2H])c([2H])c(C2(c3ccc4c(c3)sc3ccccc34)c3ccc(N(c4ccccc4)c4ccccc4)cc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3ccc4sc5ccccc5c4c3)c3ccc(N(c4ccccc4)c4ccccc4)cc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4c3sc3ccccc34)c3ccc(N(c4ccccc4)c4ccccc4)cc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4sc5ccccc5c34)c3ccc(N(c4ccccc4)c4ccccc4)cc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c([2H])c1[2H]
InChIInChI=1S/2C61H42N2S.2C55H38N2S/c1-6-19-43(20-7-1)44-33-35-49(36-34-44)63(48-27-14-5-15-28-48)51-38-40-56-54(42-51)53-41-50(62(46-23-10-3-11-24-46)47-25-12-4-13-26-47)37-39-55(53)61(56,45-21-8-2-9-22-45)57-30-18-32-59-60(57)52-29-16-17-31-58(52)64-59;1-6-18-43(19-7-1)44-30-33-50(34-31-44)63(49-26-14-5-15-27-49)52-36-38-58-55(42-52)54-41-51(62(47-22-10-3-11-23-47)48-24-12-4-13-25-48)35-37-57(54)61(58,45-20-8-2-9-21-45)46-32-39-60-56(40-46)53-28-16-17-29-59(53)64-60;1-6-19-39(20-7-1)55(52-31-18-30-47-46-29-16-17-32-53(46)58-54(47)52)50-35-33-44(56(40-21-8-2-9-22-40)41-23-10-3-11-24-41)37-48(50)49-38-45(34-36-51(49)55)57(42-25-12-4-13-26-42)43-27-14-5-15-28-43;1-6-18-39(19-7-1)55(40-30-33-48-47-28-16-17-29-53(47)58-54(48)36-40)51-34-31-45(56(41-20-8-2-9-21-41)42-22-10-3-11-23-42)37-49(51)50-38-46(32-35-52(50)55)57(43-24-12-4-13-25-43)44-26-14-5-15-27-44/h2*1-42H;2*1-38H/i2D,8D,9D,21D,22D;2D,8D,9D,20D,21D;1D,6D,7D,19D,20D;1D,6D,7D,18D,19D
InChIKeyYSOZUYAMESMNCL-ATQVGPCPSA-N
MW3208.28 g/mol
LogP64.76
Rot. Bonds34

About 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine

9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine (PubChem CID 162004042) has the molecular formula C232H160N8S4 and a molecular weight of 3208.28 g/mol. Its IUPAC name is 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine.

Molecular Properties

Compound Name9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine
PubChem CID162004042
Molecular FormulaC232H160N8S4
Molecular Weight3208.28 g/mol
Exact Mass3205.29
IUPAC Name9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine
SMILES[2H]c1c([2H])c([2H])c(C2(c3ccc4c(c3)sc3ccccc34)c3ccc(N(c4ccccc4)c4ccccc4)cc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3ccc4sc5ccccc5c4c3)c3ccc(N(c4ccccc4)c4ccccc4)cc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4c3sc3ccccc34)c3ccc(N(c4ccccc4)c4ccccc4)cc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4sc5ccccc5c34)c3ccc(N(c4ccccc4)c4ccccc4)cc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c([2H])c1[2H]
InChIInChI=1S/2C61H42N2S.2C55H38N2S/c1-6-19-43(20-7-1)44-33-35-49(36-34-44)63(48-27-14-5-15-28-48)51-38-40-56-54(42-51)53-41-50(62(46-23-10-3-11-24-46)47-25-12-4-13-26-47)37-39-55(53)61(56,45-21-8-2-9-22-45)57-30-18-32-59-60(57)52-29-16-17-31-58(52)64-59;1-6-18-43(19-7-1)44-30-33-50(34-31-44)63(49-26-14-5-15-27-49)52-36-38-58-55(42-52)54-41-51(62(47-22-10-3-11-23-47)48-24-12-4-13-25-48)35-37-57(54)61(58,45-20-8-2-9-21-45)46-32-39-60-56(40-46)53-28-16-17-29-59(53)64-60;1-6-19-39(20-7-1)55(52-31-18-30-47-46-29-16-17-32-53(46)58-54(47)52)50-35-33-44(56(40-21-8-2-9-22-40)41-23-10-3-11-24-41)37-48(50)49-38-45(34-36-51(49)55)57(42-25-12-4-13-26-42)43-27-14-5-15-28-43;1-6-18-39(19-7-1)55(40-30-33-48-47-28-16-17-29-53(47)58-54(48)36-40)51-34-31-45(56(41-20-8-2-9-21-41)42-22-10-3-11-23-42)37-49(51)50-38-46(32-35-52(50)55)57(43-24-12-4-13-25-43)44-26-14-5-15-27-44/h2*1-42H;2*1-38H/i2D,8D,9D,21D,22D;2D,8D,9D,20D,21D;1D,6D,7D,19D,20D;1D,6D,7D,18D,19D
InChIKeyYSOZUYAMESMNCL-ATQVGPCPSA-N
XLogP64.76
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds34
Heavy Atoms244
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003208.28
LogP ≤ 564.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine?
The IUPAC name of 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine (CID 162004042) is 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine.
What is the SMILES notation for 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine?
The canonical SMILES for 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine is [2H]c1c([2H])c([2H])c(C2(c3ccc4c(c3)sc3ccccc34)c3ccc(N(c4ccccc4)c4ccccc4)cc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3ccc4sc5ccccc5c4c3)c3ccc(N(c4ccccc4)c4ccccc4)cc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4c3sc3ccccc34)c3ccc(N(c4ccccc4)c4ccccc4)cc3-c3cc(N(c4ccccc4)c4ccccc4)ccc32)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(C2(c3cccc4sc5ccccc5c34)c3ccc(N(c4ccccc4)c4ccccc4)cc3-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c([2H])c1[2H].
What is the InChIKey of 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine?
The InChIKey is YSOZUYAMESMNCL-ATQVGPCPSA-N. The full InChI is InChI=1S/2C61H42N2S.2C55H38N2S/c1-6-19-43(20-7-1)44-33-35-49(36-34-44)63(48-27-14-5-15-28-48)51-38-40-56-54(42-51)53-41-50(62(46-23-10-3-11-24-46)47-25-12-4-13-26-47)37-39-55(53)61(56,45-21-8-2-9-22-45)57-30-18-32-59-60(57)52-29-16-17-31-58(52)64-59;1-6-18-43(19-7-1)44-30-33-50(34-31-44)63(49-26-14-5-15-27-49)52-36-38-58-55(42-52)54-41-51(62(47-22-10-3-11-23-47)48-24-12-4-13-25-48)35-37-57(54)61(58,45-20-8-2-9-21-45)46-32-39-60-56(40-46)53-28-16-17-29-59(53)64-60;1-6-19-39(20-7-1)55(52-31-18-30-47-46-29-16-17-32-53(46)58-54(47)52)50-35-33-44(56(40-21-8-2-9-22-40)41-23-10-3-11-24-41)37-48(50)49-38-45(34-36-51(49)55)57(42-25-12-4-13-26-42)43-27-14-5-15-28-43;1-6-18-39(19-7-1)55(40-30-33-48-47-28-16-17-29-53(47)58-54(48)36-40)51-34-31-45(56(41-20-8-2-9-21-41)42-22-10-3-11-23-42)37-49(51)50-38-46(32-35-52(50)55)57(43-24-12-4-13-25-43)44-26-14-5-15-27-44/h2*1-42H;2*1-38H/i2D,8D,9D,21D,22D;2D,8D,9D,20D,21D;1D,6D,7D,19D,20D;1D,6D,7D,18D,19D.
What are the key properties of 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine?
9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine has a molecular weight of 3208.28 g/mol, XLogP of 64.76, 34 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-4-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,3-N,6-N,6-N-tetraphenylfluorene-3,6-diamine;9-dibenzothiophen-1-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine;9-dibenzothiophen-2-yl-9-(2,3,4,5,6-pentadeuteriophenyl)-3-N,6-N,6-N-triphenyl-3-N-(4-phenylphenyl)fluorene-3,6-diamine is sourced from PubChem (CID 162004042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).