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

C63H41N5 — CID 162775169

IUPAC2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6c7ccccc7n(-c7ccccc7)c6c5)c4)c3)n2)cc1
InChIInChI=1S/C63H41N5/c1-5-19-42(20-6-1)61-64-62(43-21-7-2-8-22-43)66-63(65-61)48-26-18-24-45(38-48)44-23-17-25-46(37-44)49-40-54(60-53-32-14-16-34-57(53)68(59(60)41-49)51-29-11-4-12-30-51)47-35-36-58-55(39-47)52-31-13-15-33-56(52)67(58)50-27-9-3-10-28-50/h1-41H
InChIKeyLHWWBTONDLOIFI-UHFFFAOYSA-N
MW868.06 g/mol
LogP16.07
Rot. Bonds8

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

2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 162775169) has the molecular formula C63H41N5 and a molecular weight of 868.06 g/mol. Its IUPAC name is 2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole
PubChem CID162775169
Molecular FormulaC63H41N5
Molecular Weight868.06 g/mol
Exact Mass867.34
IUPAC Name2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6c7ccccc7n(-c7ccccc7)c6c5)c4)c3)n2)cc1
InChIInChI=1S/C63H41N5/c1-5-19-42(20-6-1)61-64-62(43-21-7-2-8-22-43)66-63(65-61)48-26-18-24-45(38-48)44-23-17-25-46(37-44)49-40-54(60-53-32-14-16-34-57(53)68(59(60)41-49)51-29-11-4-12-30-51)47-35-36-58-55(39-47)52-31-13-15-33-56(52)67(58)50-27-9-3-10-28-50/h1-41H
InChIKeyLHWWBTONDLOIFI-UHFFFAOYSA-N
XLogP16.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.06
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6,9-triphenylcarbazole
CID 118299164
4-phenyl-9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087478
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole
CID 170539165
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6,9-triphenyl-8-(9-phenylcarbazol-3-yl)carbazole
CID 121422470
3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 134236862
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
3-(3-carbazol-9-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 58943700
9-phenyl-3-[9-phenyl-4-(9-phenylcarbazol-3-yl)carbazol-2-yl]-6-[8-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-2-yl]carbazole
CID 154938925
4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole
CID 137470533
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6,9-triphenyl-8-(3-phenylcarbazol-9-yl)carbazole
CID 121382492

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole (CID 162775169) is 2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6c7ccccc7n(-c7ccccc7)c6c5)c4)c3)n2)cc1.
What is the InChIKey of 2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is LHWWBTONDLOIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5/c1-5-19-42(20-6-1)61-64-62(43-21-7-2-8-22-43)66-63(65-61)48-26-18-24-45(38-48)44-23-17-25-46(37-44)49-40-54(60-53-32-14-16-34-57(53)68(59(60)41-49)51-29-11-4-12-30-51)47-35-36-58-55(39-47)52-31-13-15-33-56(52)67(58)50-27-9-3-10-28-50/h1-41H.
What are the key properties of 2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole?
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 868.06 g/mol, XLogP of 16.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 162775169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).