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

C83H59N7 — CID 151211237

IUPAC9-[4-[6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-(2,6-diphenyl-4-pyridinyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c(-c3ccc(-n4c5ccc(C)cc5c5cc(C)ccc54)cc3)n2)cc1
InChIInChI=1S/C83H59N7/c1-52-29-41-75-67(45-52)68-46-53(2)30-42-76(68)89(75)63-37-33-58(34-38-63)74-51-71(65-27-17-18-28-66(65)83-87-81(60-23-13-7-14-24-60)86-82(88-83)61-25-15-8-16-26-61)79(62-49-72(56-19-9-5-10-20-56)84-73(50-62)57-21-11-6-12-22-57)80(85-74)59-35-39-64(40-36-59)90-77-43-31-54(3)47-69(77)70-48-55(4)32-44-78(70)90/h5-51H,1-4H3
InChIKeyNKIDETNTGWSSMW-UHFFFAOYSA-N
MW1154.43 g/mol
LogP21.09
Rot. Bonds11

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

9-[4-[6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-(2,6-diphenyl-4-pyridinyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-3,6-dimethylcarbazole (PubChem CID 151211237) has the molecular formula C83H59N7 and a molecular weight of 1154.43 g/mol. Its IUPAC name is 9-[4-[6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-(2,6-diphenyl-4-pyridinyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[4-[6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-(2,6-diphenyl-4-pyridinyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-3,6-dimethylcarbazole
PubChem CID151211237
Molecular FormulaC83H59N7
Molecular Weight1154.43 g/mol
Exact Mass1153.48
IUPAC Name9-[4-[6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-(2,6-diphenyl-4-pyridinyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c(-c3ccc(-n4c5ccc(C)cc5c5cc(C)ccc54)cc3)n2)cc1
InChIInChI=1S/C83H59N7/c1-52-29-41-75-67(45-52)68-46-53(2)30-42-76(68)89(75)63-37-33-58(34-38-63)74-51-71(65-27-17-18-28-66(65)83-87-81(60-23-13-7-14-24-60)86-82(88-83)61-25-15-8-16-26-61)79(62-49-72(56-19-9-5-10-20-56)84-73(50-62)57-21-11-6-12-22-57)80(85-74)59-35-39-64(40-36-59)90-77-43-31-54(3)47-69(77)70-48-55(4)32-44-78(70)90/h5-51H,1-4H3
InChIKeyNKIDETNTGWSSMW-UHFFFAOYSA-N
XLogP21.09
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001154.43
LogP ≤ 521.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[4-[6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-(2,6-diphenyl-4-pyridinyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-3,6-dimethylcarbazole with MolForge

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Related Compounds

9-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6-bis[4-(3-phenylcarbazol-9-yl)phenyl]-2-pyridinyl]-3,6-dimethylcarbazole
CID 170534028
3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730006
3-carbazol-9-yl-9-[4-[2-(2-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-[2-(3-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-[2-(4-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole;9-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-3,6-dimethylcarbazole
CID 161152563
9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]phenyl]-3,6-dimethylcarbazole
CID 139533365
9-[4-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-3,6-bis(3-methylcarbazol-9-yl)carbazole
CID 126730044
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
[2-[4-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane
CID 161291237
3-carbazol-9-yl-9-[4-[4-[2-(2-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[4-[4-[2-(3-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[4-[4-[2-(4-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 158213492
5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 150070640
5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole
CID 151344897
[4-[5-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylgermane
CID 160852367
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 138486673

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-(2,6-diphenyl-4-pyridinyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[4-[6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-(2,6-diphenyl-4-pyridinyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-3,6-dimethylcarbazole (CID 151211237) is 9-[4-[6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-(2,6-diphenyl-4-pyridinyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[4-[6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-(2,6-diphenyl-4-pyridinyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[4-[6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-(2,6-diphenyl-4-pyridinyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c(-c3ccc(-n4c5ccc(C)cc5c5cc(C)ccc54)cc3)n2)cc1.
What is the InChIKey of 9-[4-[6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-(2,6-diphenyl-4-pyridinyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-3,6-dimethylcarbazole?
The InChIKey is NKIDETNTGWSSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H59N7/c1-52-29-41-75-67(45-52)68-46-53(2)30-42-76(68)89(75)63-37-33-58(34-38-63)74-51-71(65-27-17-18-28-66(65)83-87-81(60-23-13-7-14-24-60)86-82(88-83)61-25-15-8-16-26-61)79(62-49-72(56-19-9-5-10-20-56)84-73(50-62)57-21-11-6-12-22-57)80(85-74)59-35-39-64(40-36-59)90-77-43-31-54(3)47-69(77)70-48-55(4)32-44-78(70)90/h5-51H,1-4H3.
What are the key properties of 9-[4-[6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-(2,6-diphenyl-4-pyridinyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-3,6-dimethylcarbazole?
9-[4-[6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-(2,6-diphenyl-4-pyridinyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-3,6-dimethylcarbazole has a molecular weight of 1154.43 g/mol, XLogP of 21.09, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-(2,6-diphenyl-4-pyridinyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 151211237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).