9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole

C64H46N8 — CID 142508189

IUPAC9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C64H46N8/c1-39-25-29-54-48(33-39)49-34-40(2)26-30-55(49)71(54)47-37-52(63-67-59(43-17-9-5-10-18-43)65-60(68-63)44-19-11-6-12-20-44)58(72-56-31-27-41(3)35-50(56)51-36-42(4)28-32-57(51)72)53(38-47)64-69-61(45-21-13-7-14-22-45)66-62(70-64)46-23-15-8-16-24-46/h5-38H,1-4H3
InChIKeyUJGQZMBALPALMA-UHFFFAOYSA-N
MW927.13 g/mol
LogP15.49
Rot. Bonds8

About 9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole

9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole (PubChem CID 142508189) has the molecular formula C64H46N8 and a molecular weight of 927.13 g/mol. Its IUPAC name is 9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
PubChem CID142508189
Molecular FormulaC64H46N8
Molecular Weight927.13 g/mol
Exact Mass926.38
IUPAC Name9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C64H46N8/c1-39-25-29-54-48(33-39)49-34-40(2)26-30-55(49)71(54)47-37-52(63-67-59(43-17-9-5-10-18-43)65-60(68-63)44-19-11-6-12-20-44)58(72-56-31-27-41(3)35-50(56)51-36-42(4)28-32-57(51)72)53(38-47)64-69-61(45-21-13-7-14-22-45)66-62(70-64)46-23-15-8-16-24-46/h5-38H,1-4H3
InChIKeyUJGQZMBALPALMA-UHFFFAOYSA-N
XLogP15.49
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.13
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

9-[4-(3,6-diphenylcarbazol-9-yl)-2,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 138701287
9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 146512114
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3-methylcarbazole
CID 158199307
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 162500647
[2-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane
CID 161291237
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]-3,6-dimethylcarbazole;ethane
CID 142555822
9-[2,4-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121401483
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 162611962
9-[3,5-bis(4,6-diphenylpyrimidin-2-yl)-4-(3-methylcarbazol-9-yl)phenyl]-2-(2,6-diphenyl-4-pyridinyl)-6-phenylcarbazole
CID 137369176
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 138486673
[4-[5-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylgermane
CID 160852367
9-[4-[3,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,6-dimethylcarbazol-9-yl)-2-pyridinyl]-3,6-dimethylcarbazole
CID 166759147

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole (CID 142508189) is 9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole?
The InChIKey is UJGQZMBALPALMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N8/c1-39-25-29-54-48(33-39)49-34-40(2)26-30-55(49)71(54)47-37-52(63-67-59(43-17-9-5-10-18-43)65-60(68-63)44-19-11-6-12-20-44)58(72-56-31-27-41(3)35-50(56)51-36-42(4)28-32-57(51)72)53(38-47)64-69-61(45-21-13-7-14-22-45)66-62(70-64)46-23-15-8-16-24-46/h5-38H,1-4H3.
What are the key properties of 9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole?
9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole has a molecular weight of 927.13 g/mol, XLogP of 15.49, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3,6-dimethylcarbazol-9-yl)-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 142508189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).