2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-6-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole

C63H45N5 — CID 66797828

IUPAC2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-6-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5c6c(cc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c57)-c5ccccc5C6(C)C)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C63H45N5/c1-62(2)50-29-17-14-26-42(50)45-35-47-46-34-40(32-33-54(46)67(55(47)37-52(45)62)41-24-12-7-13-25-41)56-57-48(43-27-15-18-30-51(43)63(57,3)4)36-49-44-28-16-19-31-53(44)68(58(49)56)61-65-59(38-20-8-5-9-21-38)64-60(66-61)39-22-10-6-11-23-39/h5-37H,1-4H3
InChIKeyNZXDWYLJKPDQAJ-UHFFFAOYSA-N
MW872.09 g/mol
LogP15.68
Rot. Bonds5

About 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-6-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole

2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-6-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole (PubChem CID 66797828) has the molecular formula C63H45N5 and a molecular weight of 872.09 g/mol. Its IUPAC name is 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-6-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-6-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
PubChem CID66797828
Molecular FormulaC63H45N5
Molecular Weight872.09 g/mol
Exact Mass871.37
IUPAC Name2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-6-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5c6c(cc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c57)-c5ccccc5C6(C)C)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C63H45N5/c1-62(2)50-29-17-14-26-42(50)45-35-47-46-34-40(32-33-54(46)67(55(47)37-52(45)62)41-24-12-7-13-25-41)56-57-48(43-27-15-18-30-51(43)63(57,3)4)36-49-44-28-16-19-31-53(44)68(58(49)56)61-65-59(38-20-8-5-9-21-38)64-60(66-61)39-22-10-6-11-23-39/h5-37H,1-4H3
InChIKeyNZXDWYLJKPDQAJ-UHFFFAOYSA-N
XLogP15.68
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.09
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-6-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-6-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The IUPAC name of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-6-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole (CID 66797828) is 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-6-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole.
What is the SMILES notation for 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-6-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The canonical SMILES for 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-6-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5c6c(cc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c57)-c5ccccc5C6(C)C)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-6-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The InChIKey is NZXDWYLJKPDQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N5/c1-62(2)50-29-17-14-26-42(50)45-35-47-46-34-40(32-33-54(46)67(55(47)37-52(45)62)41-24-12-7-13-25-41)56-57-48(43-27-15-18-30-51(43)63(57,3)4)36-49-44-28-16-19-31-53(44)68(58(49)56)61-65-59(38-20-8-5-9-21-38)64-60(66-61)39-22-10-6-11-23-39/h5-37H,1-4H3.
What are the key properties of 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-6-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-6-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole has a molecular weight of 872.09 g/mol, XLogP of 15.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-6-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole is sourced from PubChem (CID 66797828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).