2-(9,9-dimethylfluoren-1-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazole

C43H30N6 — CID 138463113

IUPAC2-(9,9-dimethylfluoren-1-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc4c(c3)n3c5ccccc5nc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c21
InChIInChI=1S/C43H30N6/c1-43(2)33-21-10-9-18-31(33)32-20-13-19-30(38(32)43)29-24-25-36-37(26-29)48-35-23-12-11-22-34(35)44-42(48)49(36)41-46-39(27-14-5-3-6-15-27)45-40(47-41)28-16-7-4-8-17-28/h3-26H,1-2H3
InChIKeyYPYYGQDDBNZFKK-UHFFFAOYSA-N
MW630.76 g/mol
LogP9.92
Rot. Bonds4

About 2-(9,9-dimethylfluoren-1-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazole

2-(9,9-dimethylfluoren-1-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 138463113) has the molecular formula C43H30N6 and a molecular weight of 630.76 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-1-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-1-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazole
PubChem CID138463113
Molecular FormulaC43H30N6
Molecular Weight630.76 g/mol
Exact Mass630.25
IUPAC Name2-(9,9-dimethylfluoren-1-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc4c(c3)n3c5ccccc5nc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c21
InChIInChI=1S/C43H30N6/c1-43(2)33-21-10-9-18-31(33)32-20-13-19-30(38(32)43)29-24-25-36-37(26-29)48-35-23-12-11-22-34(35)44-42(48)49(36)41-46-39(27-14-5-3-6-15-27)45-40(47-41)28-16-7-4-8-17-28/h3-26H,1-2H3
InChIKeyYPYYGQDDBNZFKK-UHFFFAOYSA-N
XLogP9.92
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.76
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(9,9-dimethylfluoren-1-yl)-5-(4,6-diphenylpyrimidin-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 138463181
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 138463102
2-[3-(9,9-dimethylfluoren-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150867
2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 66797829
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 176871141
14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-14,16,23-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-10,14,16,23-tetrazahexacyclo[11.10.0.03,11.04,9.015,23.017,22]tricosa-1(13),2,4,6,8,11,15,17,19,21-decaene
CID 145321640
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 87159836
4-[4-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 167344597
12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
CID 163675425
2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole
CID 138463116
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 139479683
5-(2,6-diphenylphenyl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole
CID 154624097

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-1-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 2-(9,9-dimethylfluoren-1-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazole (CID 138463113) is 2-(9,9-dimethylfluoren-1-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 2-(9,9-dimethylfluoren-1-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 2-(9,9-dimethylfluoren-1-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazole is CC1(C)c2ccccc2-c2cccc(-c3ccc4c(c3)n3c5ccccc5nc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c21.
What is the InChIKey of 2-(9,9-dimethylfluoren-1-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is YPYYGQDDBNZFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N6/c1-43(2)33-21-10-9-18-31(33)32-20-13-19-30(38(32)43)29-24-25-36-37(26-29)48-35-23-12-11-22-34(35)44-42(48)49(36)41-46-39(27-14-5-3-6-15-27)45-40(47-41)28-16-7-4-8-17-28/h3-26H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-1-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazole?
2-(9,9-dimethylfluoren-1-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 630.76 g/mol, XLogP of 9.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-1-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 138463113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).