4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2,10,10-triphenylindeno[1,2-g]quinoline

C59H38N4 — CID 146595082

IUPAC4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2,10,10-triphenylindeno[1,2-g]quinoline
SMILESc1ccc(-c2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4ccccc34)c3cc4c(cc3n2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1
InChIInChI=1S/C59H38N4/c1-6-20-39(21-7-1)54-37-49(51-36-50-47-32-18-19-33-52(47)59(44-27-12-4-13-28-44,45-29-14-5-15-30-45)53(50)38-55(51)60-54)48-35-43(34-42-26-16-17-31-46(42)48)58-62-56(40-22-8-2-9-23-40)61-57(63-58)41-24-10-3-11-25-41/h1-38H
InChIKeyGTWUURLOIOTTQY-UHFFFAOYSA-N
MW802.98 g/mol
LogP14.27
Rot. Bonds7

About 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2,10,10-triphenylindeno[1,2-g]quinoline

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2,10,10-triphenylindeno[1,2-g]quinoline (PubChem CID 146595082) has the molecular formula C59H38N4 and a molecular weight of 802.98 g/mol. Its IUPAC name is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2,10,10-triphenylindeno[1,2-g]quinoline.

Molecular Properties

Compound Name4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2,10,10-triphenylindeno[1,2-g]quinoline
PubChem CID146595082
Molecular FormulaC59H38N4
Molecular Weight802.98 g/mol
Exact Mass802.31
IUPAC Name4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2,10,10-triphenylindeno[1,2-g]quinoline
SMILESc1ccc(-c2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4ccccc34)c3cc4c(cc3n2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1
InChIInChI=1S/C59H38N4/c1-6-20-39(21-7-1)54-37-49(51-36-50-47-32-18-19-33-52(47)59(44-27-12-4-13-28-44,45-29-14-5-15-30-45)53(50)38-55(51)60-54)48-35-43(34-42-26-16-17-31-46(42)48)58-62-56(40-22-8-2-9-23-40)61-57(63-58)41-24-10-3-11-25-41/h1-38H
InChIKeyGTWUURLOIOTTQY-UHFFFAOYSA-N
XLogP14.27
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.98
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline
CID 146595180
4-[3-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-2,10,10-triphenylindeno[1,2-g]quinoline
CID 146595227
4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-1-yl-10,10-diphenylindeno[1,2-g]quinoline
CID 146594841
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-10,10-diphenylindeno[1,2-g]quinoline
CID 146594822
2-(9,9-diphenylfluoren-3-yl)-4-(4-naphthalen-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 176588146
4,10,10-triphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-g]quinoline
CID 137437790
2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 146367918
2'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4'-phenylspiro[fluorene-9,10'-indeno[1,2-g]quinoline]
CID 137437785
4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 134272105
4-[3-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 146367936
4-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 146367937
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2,10,10-triphenylindeno[1,2-g]quinoline?
The IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2,10,10-triphenylindeno[1,2-g]quinoline (CID 146595082) is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2,10,10-triphenylindeno[1,2-g]quinoline.
What is the SMILES notation for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2,10,10-triphenylindeno[1,2-g]quinoline?
The canonical SMILES for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2,10,10-triphenylindeno[1,2-g]quinoline is c1ccc(-c2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4ccccc34)c3cc4c(cc3n2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1.
What is the InChIKey of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2,10,10-triphenylindeno[1,2-g]quinoline?
The InChIKey is GTWUURLOIOTTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N4/c1-6-20-39(21-7-1)54-37-49(51-36-50-47-32-18-19-33-52(47)59(44-27-12-4-13-28-44,45-29-14-5-15-30-45)53(50)38-55(51)60-54)48-35-43(34-42-26-16-17-31-46(42)48)58-62-56(40-22-8-2-9-23-40)61-57(63-58)41-24-10-3-11-25-41/h1-38H.
What are the key properties of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2,10,10-triphenylindeno[1,2-g]quinoline?
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2,10,10-triphenylindeno[1,2-g]quinoline has a molecular weight of 802.98 g/mol, XLogP of 14.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2,10,10-triphenylindeno[1,2-g]quinoline is sourced from PubChem (CID 146595082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).