9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole

C118H102N10 — CID 161043519

IUPAC9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
SMILESCc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1-n1c2c(C)c(C)c(C)c(C)c2c2c(C)c(C)c(C)c(C)c21.Cc1cc(-n2c3c(C)c(C)c(C)c(C)c3c3c(C)c(C)c(C)c(C)c32)c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/2C59H51N5/c1-34-30-53(64-56-41(8)37(4)35(2)39(6)54(56)55-40(7)36(3)38(5)42(9)57(55)64)48(59-61-49(43-22-14-10-15-23-43)32-50(62-59)44-24-16-11-17-25-44)31-47(34)52-33-51(45-26-18-12-19-27-45)60-58(63-52)46-28-20-13-21-29-46;1-34-30-47(52-33-49(43-22-14-10-15-23-43)60-58(61-52)46-28-20-13-21-29-46)31-48(59-62-50(44-24-16-11-17-25-44)32-51(63-59)45-26-18-12-19-27-45)55(34)64-56-41(8)37(4)35(2)39(6)53(56)54-40(7)36(3)38(5)42(9)57(54)64/h2*10-33H,1-9H3
InChIKeyUBEQPUFZXJPIMU-UHFFFAOYSA-N
MW1660.18 g/mol
LogP30.28
Rot. Bonds14

About 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole

9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole (PubChem CID 161043519) has the molecular formula C118H102N10 and a molecular weight of 1660.18 g/mol. Its IUPAC name is 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole.

Molecular Properties

Compound Name9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
PubChem CID161043519
Molecular FormulaC118H102N10
Molecular Weight1660.18 g/mol
Exact Mass1658.83
IUPAC Name9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
SMILESCc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1-n1c2c(C)c(C)c(C)c(C)c2c2c(C)c(C)c(C)c(C)c21.Cc1cc(-n2c3c(C)c(C)c(C)c(C)c3c3c(C)c(C)c(C)c(C)c32)c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/2C59H51N5/c1-34-30-53(64-56-41(8)37(4)35(2)39(6)54(56)55-40(7)36(3)38(5)42(9)57(55)64)48(59-61-49(43-22-14-10-15-23-43)32-50(62-59)44-24-16-11-17-25-44)31-47(34)52-33-51(45-26-18-12-19-27-45)60-58(63-52)46-28-20-13-21-29-46;1-34-30-47(52-33-49(43-22-14-10-15-23-43)60-58(61-52)46-28-20-13-21-29-46)31-48(59-62-50(44-24-16-11-17-25-44)32-51(63-59)45-26-18-12-19-27-45)55(34)64-56-41(8)37(4)35(2)39(6)53(56)54-40(7)36(3)38(5)42(9)57(54)64/h2*10-33H,1-9H3
InChIKeyUBEQPUFZXJPIMU-UHFFFAOYSA-N
XLogP30.28
TPSA112.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001660.18
LogP ≤ 530.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole with MolForge

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Related Compounds

9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
CID 158665718
9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
CID 158665720
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
CID 158450774
9-[2-(2,6-diphenylpyrimidin-4-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;ethane
CID 159902814
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole
CID 67574346
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole
CID 169056298
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole
CID 169056002
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 137420974
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole
CID 137414581
8-[2,6-bis(1,8-dimethylcarbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,10-dimethyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 135131117
9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 146512116
2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 135247397

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole?
The IUPAC name of 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole (CID 161043519) is 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole.
What is the SMILES notation for 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole?
The canonical SMILES for 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole is Cc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1-n1c2c(C)c(C)c(C)c(C)c2c2c(C)c(C)c(C)c(C)c21.Cc1cc(-n2c3c(C)c(C)c(C)c(C)c3c3c(C)c(C)c(C)c(C)c32)c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole?
The InChIKey is UBEQPUFZXJPIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C59H51N5/c1-34-30-53(64-56-41(8)37(4)35(2)39(6)54(56)55-40(7)36(3)38(5)42(9)57(55)64)48(59-61-49(43-22-14-10-15-23-43)32-50(62-59)44-24-16-11-17-25-44)31-47(34)52-33-51(45-26-18-12-19-27-45)60-58(63-52)46-28-20-13-21-29-46;1-34-30-47(52-33-49(43-22-14-10-15-23-43)60-58(61-52)46-28-20-13-21-29-46)31-48(59-62-50(44-24-16-11-17-25-44)32-51(63-59)45-26-18-12-19-27-45)55(34)64-56-41(8)37(4)35(2)39(6)53(56)54-40(7)36(3)38(5)42(9)57(54)64/h2*10-33H,1-9H3.
What are the key properties of 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole?
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole has a molecular weight of 1660.18 g/mol, XLogP of 30.28, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-methylphenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole is sourced from PubChem (CID 161043519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).