tert-butyl 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-5-carboxylate

C62H49N5O2 — CID 66804907

IUPACtert-butyl 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-5-carboxylate
SMILESCC(C)(C)OC(=O)n1c2ccc(-c3ccc4c(c3)c3cc5c(cc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C(C)(C)c3ccccc3-5)cc2c2cc3c(cc21)C(C)(C)c1ccccc1-3
InChIInChI=1S/C62H49N5O2/c1-60(2,3)69-59(68)67-53-29-27-39(31-45(53)47-33-43-41-23-15-17-25-49(41)62(6,7)51(43)35-55(47)67)38-26-28-52-44(30-38)46-32-42-40-22-14-16-24-48(40)61(4,5)50(42)34-54(46)66(52)58-64-56(36-18-10-8-11-19-36)63-57(65-58)37-20-12-9-13-21-37/h8-35H,1-7H3
InChIKeyRADRSGGTATYPGT-UHFFFAOYSA-N
MW896.11 g/mol
LogP15.47
Rot. Bonds4

About tert-butyl 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-5-carboxylate

tert-butyl 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-5-carboxylate (PubChem CID 66804907) has the molecular formula C62H49N5O2 and a molecular weight of 896.11 g/mol. Its IUPAC name is tert-butyl 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-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 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-5-carboxylate
PubChem CID66804907
Molecular FormulaC62H49N5O2
Molecular Weight896.11 g/mol
Exact Mass895.39
IUPAC Nametert-butyl 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-5-carboxylate
SMILESCC(C)(C)OC(=O)n1c2ccc(-c3ccc4c(c3)c3cc5c(cc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C(C)(C)c3ccccc3-5)cc2c2cc3c(cc21)C(C)(C)c1ccccc1-3
InChIInChI=1S/C62H49N5O2/c1-60(2,3)69-59(68)67-53-29-27-39(31-45(53)47-33-43-41-23-15-17-25-49(41)62(6,7)51(43)35-55(47)67)38-26-28-52-44(30-38)46-32-42-40-22-14-16-24-48(40)61(4,5)50(42)34-54(46)66(52)58-64-56(36-18-10-8-11-19-36)63-57(65-58)37-20-12-9-13-21-37/h8-35H,1-7H3
InChIKeyRADRSGGTATYPGT-UHFFFAOYSA-N
XLogP15.47
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.11
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 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-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 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-5-carboxylate?
The IUPAC name of tert-butyl 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-5-carboxylate (CID 66804907) is tert-butyl 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-5-carboxylate.
What is the SMILES notation for tert-butyl 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-5-carboxylate?
The canonical SMILES for tert-butyl 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-5-carboxylate is CC(C)(C)OC(=O)n1c2ccc(-c3ccc4c(c3)c3cc5c(cc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C(C)(C)c3ccccc3-5)cc2c2cc3c(cc21)C(C)(C)c1ccccc1-3.
What is the InChIKey of tert-butyl 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-5-carboxylate?
The InChIKey is RADRSGGTATYPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H49N5O2/c1-60(2,3)69-59(68)67-53-29-27-39(31-45(53)47-33-43-41-23-15-17-25-49(41)62(6,7)51(43)35-55(47)67)38-26-28-52-44(30-38)46-32-42-40-22-14-16-24-48(40)61(4,5)50(42)34-54(46)66(52)58-64-56(36-18-10-8-11-19-36)63-57(65-58)37-20-12-9-13-21-37/h8-35H,1-7H3.
What are the key properties of tert-butyl 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-5-carboxylate?
tert-butyl 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-5-carboxylate has a molecular weight of 896.11 g/mol, XLogP of 15.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 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-5-carboxylate is sourced from PubChem (CID 66804907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).