3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-1-naphthalen-2-ylindeno[2,1-f]quinoline

C49H34N4 — CID 146595272

IUPAC3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-1-naphthalen-2-ylindeno[2,1-f]quinoline
SMILESCC1(C)c2ccccc2-c2ccc3nc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc(-c4ccc5ccccc5c4)c3c21
InChIInChI=1S/C49H34N4/c1-49(2)41-23-12-11-22-38(41)39-26-27-42-44(45(39)49)40(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
InChIKeyYSKBZMOYZJSLCN-UHFFFAOYSA-N
MW678.84 g/mol
LogP12.21
Rot. Bonds5

About 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-1-naphthalen-2-ylindeno[2,1-f]quinoline

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-1-naphthalen-2-ylindeno[2,1-f]quinoline (PubChem CID 146595272) 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]-11,11-dimethyl-1-naphthalen-2-ylindeno[2,1-f]quinoline.

Molecular Properties

Compound Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-1-naphthalen-2-ylindeno[2,1-f]quinoline
PubChem CID146595272
Molecular FormulaC49H34N4
Molecular Weight678.84 g/mol
Exact Mass678.28
IUPAC Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-1-naphthalen-2-ylindeno[2,1-f]quinoline
SMILESCC1(C)c2ccccc2-c2ccc3nc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc(-c4ccc5ccccc5c4)c3c21
InChIInChI=1S/C49H34N4/c1-49(2)41-23-12-11-22-38(41)39-26-27-42-44(45(39)49)40(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
InChIKeyYSKBZMOYZJSLCN-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]-7,7-dimethyl-1-naphthalen-2-ylindeno[1,2-f]quinoline
CID 137437810
2-[3-(9,9-dimethylfluoren-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150867
2-[3-[3-[6-(11,11-dimethylbenzo[b]fluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine
CID 154614257
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
12-[4-[6-[4,6-bis(4-phenylphenyl)-2-pyridinyl]naphthalen-2-yl]phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;12-[4-[6-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;12-[4-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 160845178
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118427115
4-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168779099
2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118427208
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 176588450
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
1-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-phenylbenzo[f]quinoline
CID 146185511

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-1-naphthalen-2-ylindeno[2,1-f]quinoline?
The IUPAC name of 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) is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-1-naphthalen-2-ylindeno[2,1-f]quinoline.
What is the SMILES notation for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-1-naphthalen-2-ylindeno[2,1-f]quinoline?
The canonical SMILES for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-1-naphthalen-2-ylindeno[2,1-f]quinoline is CC1(C)c2ccccc2-c2ccc3nc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc(-c4ccc5ccccc5c4)c3c21.
What is the InChIKey of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-1-naphthalen-2-ylindeno[2,1-f]quinoline?
The InChIKey is YSKBZMOYZJSLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4/c1-49(2)41-23-12-11-22-38(41)39-26-27-42-44(45(39)49)40(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]-11,11-dimethyl-1-naphthalen-2-ylindeno[2,1-f]quinoline?
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-1-naphthalen-2-ylindeno[2,1-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]-11,11-dimethyl-1-naphthalen-2-ylindeno[2,1-f]quinoline is sourced from PubChem (CID 146595272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).