2-phenyl-1-[4-(3-phenylphenyl)-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]benzimidazole

C41H35N5 — CID 171749163

IUPAC2-phenyl-1-[4-(3-phenylphenyl)-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]benzimidazole
SMILESCC1(C)CC(C)(C)c2cc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c(-c5ccccc5)nc5ccccc54)n3)ccc21
InChIInChI=1S/C41H35N5/c1-40(2)26-41(3,4)33-25-31(22-23-32(33)40)37-43-36(30-19-13-18-29(24-30)27-14-7-5-8-15-27)44-39(45-37)46-35-21-12-11-20-34(35)42-38(46)28-16-9-6-10-17-28/h5-25H,26H2,1-4H3
InChIKeyAPVAQBCNSNFFTM-UHFFFAOYSA-N
MW597.77 g/mol
LogP9.84
Rot. Bonds5

About 2-phenyl-1-[4-(3-phenylphenyl)-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]benzimidazole

2-phenyl-1-[4-(3-phenylphenyl)-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]benzimidazole (PubChem CID 171749163) has the molecular formula C41H35N5 and a molecular weight of 597.77 g/mol. Its IUPAC name is 2-phenyl-1-[4-(3-phenylphenyl)-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]benzimidazole.

Molecular Properties

Compound Name2-phenyl-1-[4-(3-phenylphenyl)-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]benzimidazole
PubChem CID171749163
Molecular FormulaC41H35N5
Molecular Weight597.77 g/mol
Exact Mass597.29
IUPAC Name2-phenyl-1-[4-(3-phenylphenyl)-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]benzimidazole
SMILESCC1(C)CC(C)(C)c2cc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c(-c5ccccc5)nc5ccccc54)n3)ccc21
InChIInChI=1S/C41H35N5/c1-40(2)26-41(3,4)33-25-31(22-23-32(33)40)37-43-36(30-19-13-18-29(24-30)27-14-7-5-8-15-27)44-39(45-37)46-35-21-12-11-20-34(35)42-38(46)28-16-9-6-10-17-28/h5-25H,26H2,1-4H3
InChIKeyAPVAQBCNSNFFTM-UHFFFAOYSA-N
XLogP9.84
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.77
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 167268675
2-phenyl-1-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]benzimidazole
CID 118688255
2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole
CID 161378320
1-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,7-diphenyl-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688194
1-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzimidazole
CID 165151195
4-[4-[3-[4-phenyl-6-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline
CID 170034469
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole
CID 155173937
N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]aniline
CID 121337566
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-b]carbazole
CID 167268433
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
1-phenyl-2-[4-[3-[4-[4-(4,5,6-trimethylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]benzimidazole
CID 147177465
1-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 171812770

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(3-phenylphenyl)-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]benzimidazole?
The IUPAC name of 2-phenyl-1-[4-(3-phenylphenyl)-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]benzimidazole (CID 171749163) is 2-phenyl-1-[4-(3-phenylphenyl)-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]benzimidazole.
What is the SMILES notation for 2-phenyl-1-[4-(3-phenylphenyl)-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]benzimidazole?
The canonical SMILES for 2-phenyl-1-[4-(3-phenylphenyl)-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]benzimidazole is CC1(C)CC(C)(C)c2cc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c(-c5ccccc5)nc5ccccc54)n3)ccc21.
What is the InChIKey of 2-phenyl-1-[4-(3-phenylphenyl)-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]benzimidazole?
The InChIKey is APVAQBCNSNFFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35N5/c1-40(2)26-41(3,4)33-25-31(22-23-32(33)40)37-43-36(30-19-13-18-29(24-30)27-14-7-5-8-15-27)44-39(45-37)46-35-21-12-11-20-34(35)42-38(46)28-16-9-6-10-17-28/h5-25H,26H2,1-4H3.
What are the key properties of 2-phenyl-1-[4-(3-phenylphenyl)-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]benzimidazole?
2-phenyl-1-[4-(3-phenylphenyl)-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]benzimidazole has a molecular weight of 597.77 g/mol, XLogP of 9.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(3-phenylphenyl)-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]benzimidazole is sourced from PubChem (CID 171749163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).