3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-1-naphthalen-2-ylindeno[1,2-f]quinoline

C49H34N4 — CID 137437810

IUPAC3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-1-naphthalen-2-ylindeno[1,2-f]quinoline
SMILESCC1(C)c2ccccc2-c2c1ccc1nc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc(-c3ccc4ccccc4c3)c21
InChIInChI=1S/C49H34N4/c1-49(2)40-23-12-11-22-38(40)44-41(49)26-27-42-45(44)39(35-25-24-31-14-9-10-19-34(31)28-35)30-43(50-42)36-20-13-21-37(29-36)48-52-46(32-15-5-3-6-16-32)51-47(53-48)33-17-7-4-8-18-33/h3-30H,1-2H3
InChIKeyQIGLFFOBKWFUGX-UHFFFAOYSA-N
MW678.84 g/mol
LogP12.21
Rot. Bonds5

About 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-1-naphthalen-2-ylindeno[1,2-f]quinoline

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-1-naphthalen-2-ylindeno[1,2-f]quinoline (PubChem CID 137437810) has the molecular formula C49H34N4 and a molecular weight of 678.84 g/mol. Its IUPAC name is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-1-naphthalen-2-ylindeno[1,2-f]quinoline.

Molecular Properties

Compound Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-1-naphthalen-2-ylindeno[1,2-f]quinoline
PubChem CID137437810
Molecular FormulaC49H34N4
Molecular Weight678.84 g/mol
Exact Mass678.28
IUPAC Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-1-naphthalen-2-ylindeno[1,2-f]quinoline
SMILESCC1(C)c2ccccc2-c2c1ccc1nc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc(-c3ccc4ccccc4c3)c21
InChIInChI=1S/C49H34N4/c1-49(2)40-23-12-11-22-38(40)44-41(49)26-27-42-45(44)39(35-25-24-31-14-9-10-19-34(31)28-35)30-43(50-42)36-20-13-21-37(29-36)48-52-46(32-15-5-3-6-16-32)51-47(53-48)33-17-7-4-8-18-33/h3-30H,1-2H3
InChIKeyQIGLFFOBKWFUGX-UHFFFAOYSA-N
XLogP12.21
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.84
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-1-naphthalen-2-ylindeno[2,1-f]quinoline
CID 146595272
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-4-naphthalen-2-ylindeno[2,1-h]quinoline
CID 153492226
2-[3-[3-(9,9-dimethyl-3-naphthalen-2-ylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-dimethyl-3-naphthalen-2-ylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3-[3-(9,9-dimethyl-3-naphthalen-2-ylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158103642
2-[3-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164721430
2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765149
4-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272139
2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 170927879
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614101
2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-3-yl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(7,7-dimethylbenzo[c]fluoren-2-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 159292618
9,9-dimethyl-5-[3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]fluorene-3-carbonitrile
CID 166796708
2-[3-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 138576140
4-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 121450715

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-1-naphthalen-2-ylindeno[1,2-f]quinoline?
The IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-1-naphthalen-2-ylindeno[1,2-f]quinoline (CID 137437810) is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-1-naphthalen-2-ylindeno[1,2-f]quinoline.
What is the SMILES notation for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-1-naphthalen-2-ylindeno[1,2-f]quinoline?
The canonical SMILES for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-1-naphthalen-2-ylindeno[1,2-f]quinoline is CC1(C)c2ccccc2-c2c1ccc1nc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc(-c3ccc4ccccc4c3)c21.
What is the InChIKey of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-1-naphthalen-2-ylindeno[1,2-f]quinoline?
The InChIKey is QIGLFFOBKWFUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4/c1-49(2)40-23-12-11-22-38(40)44-41(49)26-27-42-45(44)39(35-25-24-31-14-9-10-19-34(31)28-35)30-43(50-42)36-20-13-21-37(29-36)48-52-46(32-15-5-3-6-16-32)51-47(53-48)33-17-7-4-8-18-33/h3-30H,1-2H3.
What are the key properties of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-1-naphthalen-2-ylindeno[1,2-f]quinoline?
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-1-naphthalen-2-ylindeno[1,2-f]quinoline has a molecular weight of 678.84 g/mol, XLogP of 12.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-1-naphthalen-2-ylindeno[1,2-f]quinoline is sourced from PubChem (CID 137437810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).