2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole

C206H134N18 — CID 159773020

IUPAC2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc43)cc2)cc1
InChIInChI=1S/C56H36N6.2C52H34N4.C46H30N4/c1-5-17-37(18-6-1)47-35-53(59-55(57-47)39-21-9-3-10-22-39)61-50-28-16-14-26-44(50)46-33-41(30-32-51(46)61)42-29-31-45-43-25-13-15-27-49(43)62(52(45)34-42)54-36-48(38-19-7-2-8-20-38)58-56(60-54)40-23-11-4-12-24-40;1-4-14-35(15-5-1)36-24-28-41(29-25-36)55-48-22-12-10-20-42(48)44-30-26-40(33-51(44)55)39-27-31-50-45(32-39)43-21-11-13-23-49(43)56(50)52-53-46(37-16-6-2-7-17-37)34-47(54-52)38-18-8-3-9-19-38;1-4-14-35(15-5-1)36-24-28-41(29-25-36)55-47-22-12-10-20-42(47)44-30-26-40(33-50(44)55)39-27-31-49-45(32-39)43-21-11-13-23-48(43)56(49)51-34-46(37-16-6-2-7-17-37)53-52(54-51)38-18-8-3-9-19-38;1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)48-46(47-40)50-43-23-13-11-21-37(43)39-28-33(25-27-44(39)50)34-24-26-38-36-20-10-12-22-42(36)49(45(38)29-34)35-18-8-3-9-19-35/h1-36H;2*1-34H;1-30H
InChIKeyNGJCMTBPPKMLIC-UHFFFAOYSA-N
MW2861.46 g/mol
LogP52.15
Rot. Bonds24

About 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole

2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole (PubChem CID 159773020) has the molecular formula C206H134N18 and a molecular weight of 2861.46 g/mol. Its IUPAC name is 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole
PubChem CID159773020
Molecular FormulaC206H134N18
Molecular Weight2861.46 g/mol
Exact Mass2859.10
IUPAC Name2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc43)cc2)cc1
InChIInChI=1S/C56H36N6.2C52H34N4.C46H30N4/c1-5-17-37(18-6-1)47-35-53(59-55(57-47)39-21-9-3-10-22-39)61-50-28-16-14-26-44(50)46-33-41(30-32-51(46)61)42-29-31-45-43-25-13-15-27-49(43)62(52(45)34-42)54-36-48(38-19-7-2-8-20-38)58-56(60-54)40-23-11-4-12-24-40;1-4-14-35(15-5-1)36-24-28-41(29-25-36)55-48-22-12-10-20-42(48)44-30-26-40(33-51(44)55)39-27-31-50-45(32-39)43-21-11-13-23-49(43)56(50)52-53-46(37-16-6-2-7-17-37)34-47(54-52)38-18-8-3-9-19-38;1-4-14-35(15-5-1)36-24-28-41(29-25-36)55-47-22-12-10-20-42(47)44-30-26-40(33-50(44)55)39-27-31-49-45(32-39)43-21-11-13-23-48(43)56(49)51-34-46(37-16-6-2-7-17-37)53-52(54-51)38-18-8-3-9-19-38;1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)48-46(47-40)50-43-23-13-11-21-37(43)39-28-33(25-27-44(39)50)34-24-26-38-36-20-10-12-22-42(36)49(45(38)29-34)35-18-8-3-9-19-35/h1-36H;2*1-34H;1-30H
InChIKeyNGJCMTBPPKMLIC-UHFFFAOYSA-N
XLogP52.15
TPSA168.34 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms224
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002861.46
LogP ≤ 552.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole?
The IUPAC name of 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole (CID 159773020) is 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole.
What is the SMILES notation for 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole?
The canonical SMILES for 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc43)cc2)cc1.
What is the InChIKey of 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole?
The InChIKey is NGJCMTBPPKMLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6.2C52H34N4.C46H30N4/c1-5-17-37(18-6-1)47-35-53(59-55(57-47)39-21-9-3-10-22-39)61-50-28-16-14-26-44(50)46-33-41(30-32-51(46)61)42-29-31-45-43-25-13-15-27-49(43)62(52(45)34-42)54-36-48(38-19-7-2-8-20-38)58-56(60-54)40-23-11-4-12-24-40;1-4-14-35(15-5-1)36-24-28-41(29-25-36)55-48-22-12-10-20-42(48)44-30-26-40(33-51(44)55)39-27-31-50-45(32-39)43-21-11-13-23-49(43)56(50)52-53-46(37-16-6-2-7-17-37)34-47(54-52)38-18-8-3-9-19-38;1-4-14-35(15-5-1)36-24-28-41(29-25-36)55-47-22-12-10-20-42(47)44-30-26-40(33-50(44)55)39-27-31-49-45(32-39)43-21-11-13-23-48(43)56(49)51-34-46(37-16-6-2-7-17-37)53-52(54-51)38-18-8-3-9-19-38;1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)48-46(47-40)50-43-23-13-11-21-37(43)39-28-33(25-27-44(39)50)34-24-26-38-36-20-10-12-22-42(36)49(45(38)29-34)35-18-8-3-9-19-35/h1-36H;2*1-34H;1-30H.
What are the key properties of 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole?
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole has a molecular weight of 2861.46 g/mol, XLogP of 52.15, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole is sourced from PubChem (CID 159773020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).