9-[4-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

C54H36N4O2 — CID 138575101

IUPAC9-[4-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cc3)cc2O1
InChIInChI=1S/C54H36N4O2/c1-54(2)42-17-9-6-16-41(42)49-43(54)29-31-47-50(49)60-46-30-26-37(32-48(46)59-47)33-20-22-35(23-21-33)52-55-51(34-12-4-3-5-13-34)56-53(57-52)36-24-27-38(28-25-36)58-44-18-10-7-14-39(44)40-15-8-11-19-45(40)58/h3-32H,1-2H3
InChIKeyZXJKTRVFXBHHQM-UHFFFAOYSA-N
MW772.91 g/mol
LogP13.84
Rot. Bonds5

About 9-[4-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

9-[4-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 138575101) has the molecular formula C54H36N4O2 and a molecular weight of 772.91 g/mol. Its IUPAC name is 9-[4-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID138575101
Molecular FormulaC54H36N4O2
Molecular Weight772.91 g/mol
Exact Mass772.28
IUPAC Name9-[4-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cc3)cc2O1
InChIInChI=1S/C54H36N4O2/c1-54(2)42-17-9-6-16-41(42)49-43(54)29-31-47-50(49)60-46-30-26-37(32-48(46)59-47)33-20-22-35(23-21-33)52-55-51(34-12-4-3-5-13-34)56-53(57-52)36-24-27-38(28-25-36)58-44-18-10-7-14-39(44)40-15-8-11-19-45(40)58/h3-32H,1-2H3
InChIKeyZXJKTRVFXBHHQM-UHFFFAOYSA-N
XLogP13.84
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.91
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138575623
9-[4-[4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138575205
9-[4-[4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138575389
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138575760
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138575887
9-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138573376
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 138575901
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138575335
4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 138575293
2-dibenzothiophen-3-yl-4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575083
2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575751
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138575084

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 138575101) is 9-[4-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is CC1(C)c2ccccc2-c2c1ccc1c2Oc2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cc3)cc2O1.
What is the InChIKey of 9-[4-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is ZXJKTRVFXBHHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4O2/c1-54(2)42-17-9-6-16-41(42)49-43(54)29-31-47-50(49)60-46-30-26-37(32-48(46)59-47)33-20-22-35(23-21-33)52-55-51(34-12-4-3-5-13-34)56-53(57-52)36-24-27-38(28-25-36)58-44-18-10-7-14-39(44)40-15-8-11-19-45(40)58/h3-32H,1-2H3.
What are the key properties of 9-[4-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[4-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 772.91 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 138575101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).