N-[3-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]phenyl]triphenylen-2-amine;N-phenyl-3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-N-[4-[4-(5-phenyl-2-pyridin-4-ylcarbazol-9-yl)phenyl]phenyl]dibenzofuran-2-amine

C233H154N10OS — CID 157258829

IUPACN-[3-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]phenyl]triphenylen-2-amine;N-phenyl-3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-N-[4-[4-(5-phenyl-2-pyridin-4-ylcarbazol-9-yl)phenyl]phenyl]dibenzofuran-2-amine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c4ccccc4n(-c4cccc(-c5ccccc5N(c5ccc6c7ccccc7c7ccccc7c6c5)c5cccc6ccccc56)c4)c3c2)c([2H])c1[2H].c1cc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)sc5ccccc56)cc43)cc2)cc(N(c2cccc3ccccc23)c2cccc3ccccc23)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6cc(-c7ccncc7)ccc6c6c(-c7ccccc7)cccc65)cc4)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)c3)cc2)cc1
InChIInChI=1S/C60H41N3.C59H39N3O.C58H38N2.C56H36N2S/c1-4-15-42(16-5-1)43-27-33-50(34-28-43)61(48-18-6-2-7-19-48)52-22-14-17-45(39-52)44-29-35-51(36-30-44)63-58-26-13-11-24-54(58)56-41-47(32-38-60(56)63)46-31-37-59-55(40-46)53-23-10-12-25-57(53)62(59)49-20-8-3-9-21-49;1-3-10-40(11-4-1)41-18-25-47(26-19-41)61(50-31-33-58-54(39-50)52-14-7-8-17-57(52)63-58)48-27-20-42(21-28-48)43-22-29-49(30-23-43)62-55-16-9-15-51(45-12-5-2-6-13-45)59(55)53-32-24-46(38-56(53)62)44-34-36-60-37-35-44;1-2-16-39(17-3-1)41-32-34-53-52-28-11-13-30-57(52)60(58(53)37-41)43-21-14-20-42(36-43)46-23-10-12-29-55(46)59(56-31-15-19-40-18-4-5-22-45(40)56)44-33-35-51-49-26-7-6-24-47(49)48-25-8-9-27-50(48)54(51)38-44;1-3-18-45-38(12-1)14-10-23-51(45)58(52-24-11-15-39-13-2-4-19-46(39)52)44-17-9-16-40(34-44)37-26-30-43(31-27-37)57-53-22-7-5-20-47(53)48-32-28-41(35-54(48)57)42-29-33-50-49-21-6-8-25-55(49)59-56(50)36-42/h1-41H;1-39H;1-38H;1-36H/i;;1D,2D,3D,16D,17D;
InChIKeyAXFFSRPAVMUJBI-FTWZIDBHSA-N
MW3146.96 g/mol
LogP65.03
Rot. Bonds28

About N-[3-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]phenyl]triphenylen-2-amine;N-phenyl-3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-N-[4-[4-(5-phenyl-2-pyridin-4-ylcarbazol-9-yl)phenyl]phenyl]dibenzofuran-2-amine

N-[3-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]phenyl]triphenylen-2-amine;N-phenyl-3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-N-[4-[4-(5-phenyl-2-pyridin-4-ylcarbazol-9-yl)phenyl]phenyl]dibenzofuran-2-amine (PubChem CID 157258829) has the molecular formula C233H154N10OS and a molecular weight of 3146.96 g/mol. Its IUPAC name is N-[3-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]phenyl]triphenylen-2-amine;N-phenyl-3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-N-[4-[4-(5-phenyl-2-pyridin-4-ylcarbazol-9-yl)phenyl]phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[3-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]phenyl]triphenylen-2-amine;N-phenyl-3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-N-[4-[4-(5-phenyl-2-pyridin-4-ylcarbazol-9-yl)phenyl]phenyl]dibenzofuran-2-amine
PubChem CID157258829
Molecular FormulaC233H154N10OS
Molecular Weight3146.96 g/mol
Exact Mass3144.23
IUPAC NameN-[3-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]phenyl]triphenylen-2-amine;N-phenyl-3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-N-[4-[4-(5-phenyl-2-pyridin-4-ylcarbazol-9-yl)phenyl]phenyl]dibenzofuran-2-amine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c4ccccc4n(-c4cccc(-c5ccccc5N(c5ccc6c7ccccc7c7ccccc7c6c5)c5cccc6ccccc56)c4)c3c2)c([2H])c1[2H].c1cc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)sc5ccccc56)cc43)cc2)cc(N(c2cccc3ccccc23)c2cccc3ccccc23)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6cc(-c7ccncc7)ccc6c6c(-c7ccccc7)cccc65)cc4)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)c3)cc2)cc1
InChIInChI=1S/C60H41N3.C59H39N3O.C58H38N2.C56H36N2S/c1-4-15-42(16-5-1)43-27-33-50(34-28-43)61(48-18-6-2-7-19-48)52-22-14-17-45(39-52)44-29-35-51(36-30-44)63-58-26-13-11-24-54(58)56-41-47(32-38-60(56)63)46-31-37-59-55(40-46)53-23-10-12-25-57(53)62(59)49-20-8-3-9-21-49;1-3-10-40(11-4-1)41-18-25-47(26-19-41)61(50-31-33-58-54(39-50)52-14-7-8-17-57(52)63-58)48-27-20-42(21-28-48)43-22-29-49(30-23-43)62-55-16-9-15-51(45-12-5-2-6-13-45)59(55)53-32-24-46(38-56(53)62)44-34-36-60-37-35-44;1-2-16-39(17-3-1)41-32-34-53-52-28-11-13-30-57(52)60(58(53)37-41)43-21-14-20-42(36-43)46-23-10-12-29-55(46)59(56-31-15-19-40-18-4-5-22-45(40)56)44-33-35-51-49-26-7-6-24-47(49)48-25-8-9-27-50(48)54(51)38-44;1-3-18-45-38(12-1)14-10-23-51(45)58(52-24-11-15-39-13-2-4-19-46(39)52)44-17-9-16-40(34-44)37-26-30-43(31-27-37)57-53-22-7-5-20-47(53)48-32-28-41(35-54(48)57)42-29-33-50-49-21-6-8-25-55(49)59-56(50)36-42/h1-41H;1-39H;1-38H;1-36H/i;;1D,2D,3D,16D,17D;
InChIKeyAXFFSRPAVMUJBI-FTWZIDBHSA-N
XLogP65.03
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003146.96
LogP ≤ 565.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[3-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]phenyl]triphenylen-2-amine;N-phenyl-3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-N-[4-[4-(5-phenyl-2-pyridin-4-ylcarbazol-9-yl)phenyl]phenyl]dibenzofuran-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]phenyl]triphenylen-2-amine;N-phenyl-3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-N-[4-[4-(5-phenyl-2-pyridin-4-ylcarbazol-9-yl)phenyl]phenyl]dibenzofuran-2-amine?
The IUPAC name of N-[3-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]phenyl]triphenylen-2-amine;N-phenyl-3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-N-[4-[4-(5-phenyl-2-pyridin-4-ylcarbazol-9-yl)phenyl]phenyl]dibenzofuran-2-amine (CID 157258829) is N-[3-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]phenyl]triphenylen-2-amine;N-phenyl-3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-N-[4-[4-(5-phenyl-2-pyridin-4-ylcarbazol-9-yl)phenyl]phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-[3-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]phenyl]triphenylen-2-amine;N-phenyl-3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-N-[4-[4-(5-phenyl-2-pyridin-4-ylcarbazol-9-yl)phenyl]phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-[3-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]phenyl]triphenylen-2-amine;N-phenyl-3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-N-[4-[4-(5-phenyl-2-pyridin-4-ylcarbazol-9-yl)phenyl]phenyl]dibenzofuran-2-amine is [2H]c1c([2H])c([2H])c(-c2ccc3c4ccccc4n(-c4cccc(-c5ccccc5N(c5ccc6c7ccccc7c7ccccc7c6c5)c5cccc6ccccc56)c4)c3c2)c([2H])c1[2H].c1cc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)sc5ccccc56)cc43)cc2)cc(N(c2cccc3ccccc23)c2cccc3ccccc23)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6cc(-c7ccncc7)ccc6c6c(-c7ccccc7)cccc65)cc4)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)c3)cc2)cc1.
What is the InChIKey of N-[3-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]phenyl]triphenylen-2-amine;N-phenyl-3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-N-[4-[4-(5-phenyl-2-pyridin-4-ylcarbazol-9-yl)phenyl]phenyl]dibenzofuran-2-amine?
The InChIKey is AXFFSRPAVMUJBI-FTWZIDBHSA-N. The full InChI is InChI=1S/C60H41N3.C59H39N3O.C58H38N2.C56H36N2S/c1-4-15-42(16-5-1)43-27-33-50(34-28-43)61(48-18-6-2-7-19-48)52-22-14-17-45(39-52)44-29-35-51(36-30-44)63-58-26-13-11-24-54(58)56-41-47(32-38-60(56)63)46-31-37-59-55(40-46)53-23-10-12-25-57(53)62(59)49-20-8-3-9-21-49;1-3-10-40(11-4-1)41-18-25-47(26-19-41)61(50-31-33-58-54(39-50)52-14-7-8-17-57(52)63-58)48-27-20-42(21-28-48)43-22-29-49(30-23-43)62-55-16-9-15-51(45-12-5-2-6-13-45)59(55)53-32-24-46(38-56(53)62)44-34-36-60-37-35-44;1-2-16-39(17-3-1)41-32-34-53-52-28-11-13-30-57(52)60(58(53)37-41)43-21-14-20-42(36-43)46-23-10-12-29-55(46)59(56-31-15-19-40-18-4-5-22-45(40)56)44-33-35-51-49-26-7-6-24-47(49)48-25-8-9-27-50(48)54(51)38-44;1-3-18-45-38(12-1)14-10-23-51(45)58(52-24-11-15-39-13-2-4-19-46(39)52)44-17-9-16-40(34-44)37-26-30-43(31-27-37)57-53-22-7-5-20-47(53)48-32-28-41(35-54(48)57)42-29-33-50-49-21-6-8-25-55(49)59-56(50)36-42/h1-41H;1-39H;1-38H;1-36H/i;;1D,2D,3D,16D,17D;.
What are the key properties of N-[3-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]phenyl]triphenylen-2-amine;N-phenyl-3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-N-[4-[4-(5-phenyl-2-pyridin-4-ylcarbazol-9-yl)phenyl]phenyl]dibenzofuran-2-amine?
N-[3-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]phenyl]triphenylen-2-amine;N-phenyl-3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-N-[4-[4-(5-phenyl-2-pyridin-4-ylcarbazol-9-yl)phenyl]phenyl]dibenzofuran-2-amine has a molecular weight of 3146.96 g/mol, XLogP of 65.03, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]phenyl]triphenylen-2-amine;N-phenyl-3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-N-[4-[4-(5-phenyl-2-pyridin-4-ylcarbazol-9-yl)phenyl]phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 157258829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).