8,8-dimethyl-13-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-5H-indeno[2,1-c]acridine

C49H38N4 — CID 162363053

IUPAC8,8-dimethyl-13-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-5H-indeno[2,1-c]acridine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2N(c2cccc(C3N=C(c4ccccc4)NC(c4cccc(-c5ccccc5)c4)=N3)c2)c2ccccc2C1
InChIInChI=1S/C49H38N4/c1-49(2)41-25-11-10-24-40(41)44-42(49)28-27-36-30-35-19-9-12-26-43(35)53(45(36)44)39-23-14-22-38(31-39)48-51-46(33-17-7-4-8-18-33)50-47(52-48)37-21-13-20-34(29-37)32-15-5-3-6-16-32/h3-29,31,48H,30H2,1-2H3,(H,50,51,52)
InChIKeyLVTXCTJULKZTJF-UHFFFAOYSA-N
MW682.87 g/mol
LogP11.53
Rot. Bonds5

About 8,8-dimethyl-13-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-5H-indeno[2,1-c]acridine

8,8-dimethyl-13-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-5H-indeno[2,1-c]acridine (PubChem CID 162363053) has the molecular formula C49H38N4 and a molecular weight of 682.87 g/mol. Its IUPAC name is 8,8-dimethyl-13-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-5H-indeno[2,1-c]acridine.

Molecular Properties

Compound Name8,8-dimethyl-13-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-5H-indeno[2,1-c]acridine
PubChem CID162363053
Molecular FormulaC49H38N4
Molecular Weight682.87 g/mol
Exact Mass682.31
IUPAC Name8,8-dimethyl-13-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-5H-indeno[2,1-c]acridine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2N(c2cccc(C3N=C(c4ccccc4)NC(c4cccc(-c5ccccc5)c4)=N3)c2)c2ccccc2C1
InChIInChI=1S/C49H38N4/c1-49(2)41-25-11-10-24-40(41)44-42(49)28-27-36-30-35-19-9-12-26-43(35)53(45(36)44)39-23-14-22-38(31-39)48-51-46(33-17-7-4-8-18-33)50-47(52-48)37-21-13-20-34(29-37)32-15-5-3-6-16-32/h3-29,31,48H,30H2,1-2H3,(H,50,51,52)
InChIKeyLVTXCTJULKZTJF-UHFFFAOYSA-N
XLogP11.53
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.87
LogP ≤ 511.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8,8-dimethyl-13-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-5H-indeno[2,1-c]acridine with MolForge

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Related Compounds

2'-[3-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263428
2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 118543950
10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263303
5-[4-[2-(9,9-dimethylfluoren-4-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenanthridin-6-one
CID 126543775
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 142504632
9-[3-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-14,14-dimethyl-6-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),4,6,11,15,17,19-octaene
CID 144964110
10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine
CID 59220894
3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole
CID 170061747
5-[2-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 166961031
11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 130181306
2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263672
9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-14,14-dimethyl-5-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 144956940

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-13-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-5H-indeno[2,1-c]acridine?
The IUPAC name of 8,8-dimethyl-13-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-5H-indeno[2,1-c]acridine (CID 162363053) is 8,8-dimethyl-13-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-5H-indeno[2,1-c]acridine.
What is the SMILES notation for 8,8-dimethyl-13-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-5H-indeno[2,1-c]acridine?
The canonical SMILES for 8,8-dimethyl-13-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-5H-indeno[2,1-c]acridine is CC1(C)c2ccccc2-c2c1ccc1c2N(c2cccc(C3N=C(c4ccccc4)NC(c4cccc(-c5ccccc5)c4)=N3)c2)c2ccccc2C1.
What is the InChIKey of 8,8-dimethyl-13-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-5H-indeno[2,1-c]acridine?
The InChIKey is LVTXCTJULKZTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38N4/c1-49(2)41-25-11-10-24-40(41)44-42(49)28-27-36-30-35-19-9-12-26-43(35)53(45(36)44)39-23-14-22-38(31-39)48-51-46(33-17-7-4-8-18-33)50-47(52-48)37-21-13-20-34(29-37)32-15-5-3-6-16-32/h3-29,31,48H,30H2,1-2H3,(H,50,51,52).
What are the key properties of 8,8-dimethyl-13-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-5H-indeno[2,1-c]acridine?
8,8-dimethyl-13-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-5H-indeno[2,1-c]acridine has a molecular weight of 682.87 g/mol, XLogP of 11.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-13-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-5H-indeno[2,1-c]acridine is sourced from PubChem (CID 162363053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).