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

C51H34N4 — CID 171437944

IUPAC2,4,9-triphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4c4c(-c6ccccc6)cc(-c6ccccc6)cc4n5-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C51H34N4/c1-6-18-35(19-7-1)39-26-16-27-40(32-39)50-52-49(38-24-12-4-13-25-38)53-51(54-50)43-30-17-31-45-47(43)48-44(37-22-10-3-11-23-37)33-41(36-20-8-2-9-21-36)34-46(48)55(45)42-28-14-5-15-29-42/h1-34H
InChIKeyCYMYETANIMIZKY-UHFFFAOYSA-N
MW702.86 g/mol
LogP12.97
Rot. Bonds7

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

2,4,9-triphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 171437944) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 2,4,9-triphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name2,4,9-triphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
PubChem CID171437944
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name2,4,9-triphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4c4c(-c6ccccc6)cc(-c6ccccc6)cc4n5-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C51H34N4/c1-6-18-35(19-7-1)39-26-16-27-40(32-39)50-52-49(38-24-12-4-13-25-38)53-51(54-50)43-30-17-31-45-47(43)48-44(37-22-10-3-11-23-37)33-41(36-20-8-2-9-21-36)34-46(48)55(45)42-28-14-5-15-29-42/h1-34H
InChIKeyCYMYETANIMIZKY-UHFFFAOYSA-N
XLogP12.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6,9-triphenylcarbazole
CID 118299164
9-[4-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166984413
4-phenyl-2-(3-phenylphenyl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170539134
2,9-diphenyl-4-[2-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 171438033
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole
CID 162775169
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,9-diphenylcarbazole
CID 118299151
5-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265295
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-4-yl]-N,N-diphenylaniline
CID 121422435
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenyl-4-(9-phenylcarbazol-4-yl)carbazole
CID 174272291
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270121

Frequently Asked Questions

What is the IUPAC name of 2,4,9-triphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 2,4,9-triphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 171437944) is 2,4,9-triphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 2,4,9-triphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 2,4,9-triphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4c4c(-c6ccccc6)cc(-c6ccccc6)cc4n5-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2,4,9-triphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is CYMYETANIMIZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-6-18-35(19-7-1)39-26-16-27-40(32-39)50-52-49(38-24-12-4-13-25-38)53-51(54-50)43-30-17-31-45-47(43)48-44(37-22-10-3-11-23-37)33-41(36-20-8-2-9-21-36)34-46(48)55(45)42-28-14-5-15-29-42/h1-34H.
What are the key properties of 2,4,9-triphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
2,4,9-triphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 702.86 g/mol, XLogP of 12.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,9-triphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 171437944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).