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

C63H39N7 — CID 171578692

IUPAC9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C63H39N7/c1-9-30-51-43(21-1)44-22-2-10-31-52(44)67(51)41-20-17-19-40(39-41)42-29-18-38-59(68-53-32-11-3-23-45(53)46-24-4-12-33-54(46)68)60(42)61-64-62(69-55-34-13-5-25-47(55)48-26-6-14-35-56(48)69)66-63(65-61)70-57-36-15-7-27-49(57)50-28-8-16-37-58(50)70/h1-39H
InChIKeyIQIOVEKNCBHRPH-UHFFFAOYSA-N
MW894.05 g/mol
LogP15.59
Rot. Bonds6

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

9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 171578692) 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-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
PubChem CID171578692
Molecular FormulaC63H39N7
Molecular Weight894.05 g/mol
Exact Mass893.33
IUPAC Name9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C63H39N7/c1-9-30-51-43(21-1)44-22-2-10-31-52(44)67(51)41-20-17-19-40(39-41)42-29-18-38-59(68-53-32-11-3-23-45(53)46-24-4-12-33-54(46)68)60(42)61-64-62(69-55-34-13-5-25-47(55)48-26-6-14-35-56(48)69)66-63(65-61)70-57-36-15-7-27-49(57)50-28-8-16-37-58(50)70/h1-39H
InChIKeyIQIOVEKNCBHRPH-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-[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
2-[3-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-9-phenylcarbazole
CID 171578340
9-[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole
CID 171578630
9-[3-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenylcarbazole
CID 171468732
9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole
CID 171578671
3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 171578191
9-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 165051393
9-[4-[3-[2-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303605
9-[4-carbazol-9-yl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742616
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134236649
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 138653750
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 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) is 9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole is c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is IQIOVEKNCBHRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N7/c1-9-30-51-43(21-1)44-22-2-10-31-52(44)67(51)41-20-17-19-40(39-41)42-29-18-38-59(68-53-32-11-3-23-45(53)46-24-4-12-33-54(46)68)60(42)61-64-62(69-55-34-13-5-25-47(55)48-26-6-14-35-56(48)69)66-63(65-61)70-57-36-15-7-27-49(57)50-28-8-16-37-58(50)70/h1-39H.
What are the key properties of 9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole?
9-[4-carbazol-9-yl-6-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-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-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 171578692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).