9-[4-carbazol-9-yl-6-[2,6-di(carbazol-9-yl)-3-phenylphenyl]-1,3,5-triazin-2-yl]carbazole

C63H39N7 — CID 176765467

IUPAC9-[4-carbazol-9-yl-6-[2,6-di(carbazol-9-yl)-3-phenylphenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)c(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C63H39N7/c1-2-20-40(21-3-1)41-38-39-58(67-50-30-12-4-22-42(50)43-23-5-13-31-51(43)67)59(60(41)68-52-32-14-6-24-44(52)45-25-7-15-33-53(45)68)61-64-62(69-54-34-16-8-26-46(54)47-27-9-17-35-55(47)69)66-63(65-61)70-56-36-18-10-28-48(56)49-29-11-19-37-57(49)70/h1-39H
InChIKeyXIRMCHUIRMNAAV-UHFFFAOYSA-N
MW894.05 g/mol
LogP15.59
Rot. Bonds6

About 9-[4-carbazol-9-yl-6-[2,6-di(carbazol-9-yl)-3-phenylphenyl]-1,3,5-triazin-2-yl]carbazole

9-[4-carbazol-9-yl-6-[2,6-di(carbazol-9-yl)-3-phenylphenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 176765467) has the molecular formula C63H39N7 and a molecular weight of 894.05 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-[2,6-di(carbazol-9-yl)-3-phenylphenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-[2,6-di(carbazol-9-yl)-3-phenylphenyl]-1,3,5-triazin-2-yl]carbazole
PubChem CID176765467
Molecular FormulaC63H39N7
Molecular Weight894.05 g/mol
Exact Mass893.33
IUPAC Name9-[4-carbazol-9-yl-6-[2,6-di(carbazol-9-yl)-3-phenylphenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)c(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C63H39N7/c1-2-20-40(21-3-1)41-38-39-58(67-50-30-12-4-22-42(50)43-23-5-13-31-51(43)67)59(60(41)68-52-32-14-6-24-44(52)45-25-7-15-33-53(45)68)61-64-62(69-54-34-16-8-26-46(54)47-27-9-17-35-55(47)69)66-63(65-61)70-56-36-18-10-28-48(56)49-29-11-19-37-57(49)70/h1-39H
InChIKeyXIRMCHUIRMNAAV-UHFFFAOYSA-N
XLogP15.59
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.05
LogP ≤ 515.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-diphenylphenyl]carbazole
CID 176765501
9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 176837753
9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171578692
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-diphenylcarbazole
CID 137369097
9-[4-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578279
9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 149013970
5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 168835045
9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303352
9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole
CID 138606135
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-dimethylcarbazole
CID 137369276
9-[4-carbazol-9-yl-6-[3-[2-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742511
9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578315

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-[2,6-di(carbazol-9-yl)-3-phenylphenyl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-[2,6-di(carbazol-9-yl)-3-phenylphenyl]-1,3,5-triazin-2-yl]carbazole (CID 176765467) is 9-[4-carbazol-9-yl-6-[2,6-di(carbazol-9-yl)-3-phenylphenyl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-[2,6-di(carbazol-9-yl)-3-phenylphenyl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-[2,6-di(carbazol-9-yl)-3-phenylphenyl]-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)c(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[4-carbazol-9-yl-6-[2,6-di(carbazol-9-yl)-3-phenylphenyl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is XIRMCHUIRMNAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N7/c1-2-20-40(21-3-1)41-38-39-58(67-50-30-12-4-22-42(50)43-23-5-13-31-51(43)67)59(60(41)68-52-32-14-6-24-44(52)45-25-7-15-33-53(45)68)61-64-62(69-54-34-16-8-26-46(54)47-27-9-17-35-55(47)69)66-63(65-61)70-56-36-18-10-28-48(56)49-29-11-19-37-57(49)70/h1-39H.
What are the key properties of 9-[4-carbazol-9-yl-6-[2,6-di(carbazol-9-yl)-3-phenylphenyl]-1,3,5-triazin-2-yl]carbazole?
9-[4-carbazol-9-yl-6-[2,6-di(carbazol-9-yl)-3-phenylphenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 894.05 g/mol, XLogP of 15.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-6-[2,6-di(carbazol-9-yl)-3-phenylphenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 176765467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).