9-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;2-[2-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-6-phenylpyrimidin-4-yl]-9-phenylcarbazole;9-[3-phenanthren-9-yl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-3-yl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole

C193H122N10S — CID 160844145

IUPAC9-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;2-[2-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-6-phenylpyrimidin-4-yl]-9-phenylcarbazole;9-[3-phenanthren-9-yl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-3-yl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)cc(-c6ccc7c(c6)-c6ccccc6C7c6ccccc6)n5)cc(-c5cc6ccccc6c6ccccc56)c4)c3c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)n5)cc(-c5cc6ccccc6c6ccccc56)c4)c3c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)cc(-c6cccc7c6sc6ccccc67)n5)cc(-c5cc6ccccc6c6ccccc56)c4)c3c2)cc1
InChIInChI=1S/C67H43N3.C66H42N4.C60H37N3S/c1-4-18-43(19-5-1)46-32-34-57-56-29-16-17-31-64(56)70(65(57)41-46)51-37-49(60-39-47-24-10-11-25-52(47)53-26-12-13-27-54(53)60)36-50(38-51)67-68-62(44-20-6-2-7-21-44)42-63(69-67)48-33-35-59-61(40-48)55-28-14-15-30-58(55)66(59)45-22-8-3-9-23-45;1-4-18-43(19-5-1)45-32-34-57-56-29-15-17-31-63(56)70(64(57)40-45)51-37-48(59-39-46-22-10-11-25-52(46)53-26-12-13-27-54(53)59)36-49(38-51)66-67-60(44-20-6-2-7-21-44)42-61(68-66)47-33-35-58-55-28-14-16-30-62(55)69(65(58)41-47)50-23-8-3-9-24-50;1-3-16-38(17-4-1)40-30-31-49-48-24-11-13-28-56(48)63(57(49)36-40)44-33-42(53-35-41-20-7-8-21-45(41)46-22-9-10-23-47(46)53)32-43(34-44)60-61-54(39-18-5-2-6-19-39)37-55(62-60)52-27-15-26-51-50-25-12-14-29-58(50)64-59(51)52/h1-42,66H;1-42H;1-37H
InChIKeySIKOBUXUILTERN-UHFFFAOYSA-N
MW2613.24 g/mol
LogP51.27
Rot. Bonds20

About 9-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;2-[2-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-6-phenylpyrimidin-4-yl]-9-phenylcarbazole;9-[3-phenanthren-9-yl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-3-yl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole

9-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;2-[2-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-6-phenylpyrimidin-4-yl]-9-phenylcarbazole;9-[3-phenanthren-9-yl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-3-yl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole (PubChem CID 160844145) has the molecular formula C193H122N10S and a molecular weight of 2613.24 g/mol. Its IUPAC name is 9-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;2-[2-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-6-phenylpyrimidin-4-yl]-9-phenylcarbazole;9-[3-phenanthren-9-yl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-3-yl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;2-[2-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-6-phenylpyrimidin-4-yl]-9-phenylcarbazole;9-[3-phenanthren-9-yl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-3-yl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole
PubChem CID160844145
Molecular FormulaC193H122N10S
Molecular Weight2613.24 g/mol
Exact Mass2610.96
IUPAC Name9-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;2-[2-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-6-phenylpyrimidin-4-yl]-9-phenylcarbazole;9-[3-phenanthren-9-yl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-3-yl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)cc(-c6ccc7c(c6)-c6ccccc6C7c6ccccc6)n5)cc(-c5cc6ccccc6c6ccccc56)c4)c3c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)n5)cc(-c5cc6ccccc6c6ccccc56)c4)c3c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)cc(-c6cccc7c6sc6ccccc67)n5)cc(-c5cc6ccccc6c6ccccc56)c4)c3c2)cc1
InChIInChI=1S/C67H43N3.C66H42N4.C60H37N3S/c1-4-18-43(19-5-1)46-32-34-57-56-29-16-17-31-64(56)70(65(57)41-46)51-37-49(60-39-47-24-10-11-25-52(47)53-26-12-13-27-54(53)60)36-50(38-51)67-68-62(44-20-6-2-7-21-44)42-63(69-67)48-33-35-59-61(40-48)55-28-14-15-30-58(55)66(59)45-22-8-3-9-23-45;1-4-18-43(19-5-1)45-32-34-57-56-29-15-17-31-63(56)70(64(57)40-45)51-37-48(59-39-46-22-10-11-25-52(46)53-26-12-13-27-54(53)59)36-49(38-51)66-67-60(44-20-6-2-7-21-44)42-61(68-66)47-33-35-58-55-28-14-16-30-62(55)69(65(58)41-47)50-23-8-3-9-24-50;1-3-16-38(17-4-1)40-30-31-49-48-24-11-13-28-56(48)63(57(49)36-40)44-33-42(53-35-41-20-7-8-21-45(41)46-22-9-10-23-47(46)53)32-43(34-44)60-61-54(39-18-5-2-6-19-39)37-55(62-60)52-27-15-26-51-50-25-12-14-29-58(50)64-59(51)52/h1-42,66H;1-42H;1-37H
InChIKeySIKOBUXUILTERN-UHFFFAOYSA-N
XLogP51.27
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002613.24
LogP ≤ 551.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 9-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;2-[2-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-6-phenylpyrimidin-4-yl]-9-phenylcarbazole;9-[3-phenanthren-9-yl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-3-yl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole with MolForge

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Related Compounds

9-[3-phenanthren-9-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole
CID 139500561
9-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]carbazole;1-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-9-phenylcarbazole;1-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole;2-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
CID 161137452
9-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole
CID 146179615
9-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole
CID 139500861
2-[4-dibenzothiophen-4-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171445636
4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole
CID 118154323
9-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole
CID 139500970
2-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-3-yl]-9-(4-phenylphenyl)carbazole
CID 118318915
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
5-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154692
12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 159887916

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;2-[2-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-6-phenylpyrimidin-4-yl]-9-phenylcarbazole;9-[3-phenanthren-9-yl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-3-yl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole?
The IUPAC name of 9-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;2-[2-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-6-phenylpyrimidin-4-yl]-9-phenylcarbazole;9-[3-phenanthren-9-yl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-3-yl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole (CID 160844145) is 9-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;2-[2-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-6-phenylpyrimidin-4-yl]-9-phenylcarbazole;9-[3-phenanthren-9-yl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-3-yl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole.
What is the SMILES notation for 9-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;2-[2-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-6-phenylpyrimidin-4-yl]-9-phenylcarbazole;9-[3-phenanthren-9-yl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-3-yl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole?
The canonical SMILES for 9-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;2-[2-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-6-phenylpyrimidin-4-yl]-9-phenylcarbazole;9-[3-phenanthren-9-yl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-3-yl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)cc(-c6ccc7c(c6)-c6ccccc6C7c6ccccc6)n5)cc(-c5cc6ccccc6c6ccccc56)c4)c3c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)n5)cc(-c5cc6ccccc6c6ccccc56)c4)c3c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)cc(-c6cccc7c6sc6ccccc67)n5)cc(-c5cc6ccccc6c6ccccc56)c4)c3c2)cc1.
What is the InChIKey of 9-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;2-[2-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-6-phenylpyrimidin-4-yl]-9-phenylcarbazole;9-[3-phenanthren-9-yl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-3-yl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole?
The InChIKey is SIKOBUXUILTERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N3.C66H42N4.C60H37N3S/c1-4-18-43(19-5-1)46-32-34-57-56-29-16-17-31-64(56)70(65(57)41-46)51-37-49(60-39-47-24-10-11-25-52(47)53-26-12-13-27-54(53)60)36-50(38-51)67-68-62(44-20-6-2-7-21-44)42-63(69-67)48-33-35-59-61(40-48)55-28-14-15-30-58(55)66(59)45-22-8-3-9-23-45;1-4-18-43(19-5-1)45-32-34-57-56-29-15-17-31-63(56)70(64(57)40-45)51-37-48(59-39-46-22-10-11-25-52(46)53-26-12-13-27-54(53)59)36-49(38-51)66-67-60(44-20-6-2-7-21-44)42-61(68-66)47-33-35-58-55-28-14-16-30-62(55)69(65(58)41-47)50-23-8-3-9-24-50;1-3-16-38(17-4-1)40-30-31-49-48-24-11-13-28-56(48)63(57(49)36-40)44-33-42(53-35-41-20-7-8-21-45(41)46-22-9-10-23-47(46)53)32-43(34-44)60-61-54(39-18-5-2-6-19-39)37-55(62-60)52-27-15-26-51-50-25-12-14-29-58(50)64-59(51)52/h1-42,66H;1-42H;1-37H.
What are the key properties of 9-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;2-[2-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-6-phenylpyrimidin-4-yl]-9-phenylcarbazole;9-[3-phenanthren-9-yl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-3-yl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole?
9-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;2-[2-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-6-phenylpyrimidin-4-yl]-9-phenylcarbazole;9-[3-phenanthren-9-yl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-3-yl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole has a molecular weight of 2613.24 g/mol, XLogP of 51.27, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole;2-[2-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-6-phenylpyrimidin-4-yl]-9-phenylcarbazole;9-[3-phenanthren-9-yl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-3-yl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole is sourced from PubChem (CID 160844145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).