10-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

C66H43N5O — CID 134223356

IUPAC10-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)oc5ccccc57)ccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3cc21
InChIInChI=1S/C66H43N5O/c1-66(2)55-24-14-12-22-47(55)49-36-52-50-34-43(44-28-32-57-51(35-44)53-37-54-48-23-13-15-25-61(48)72-62(54)39-60(53)70(57)45-20-10-5-11-21-45)29-33-58(50)71(59(52)38-56(49)66)46-30-26-42(27-31-46)65-68-63(40-16-6-3-7-17-40)67-64(69-65)41-18-8-4-9-19-41/h3-39H,1-2H3
InChIKeyNPDUELRINFJMFE-UHFFFAOYSA-N
MW922.10 g/mol
LogP16.94
Rot. Bonds6

About 10-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

10-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223356) has the molecular formula C66H43N5O and a molecular weight of 922.10 g/mol. Its IUPAC name is 10-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name10-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
PubChem CID134223356
Molecular FormulaC66H43N5O
Molecular Weight922.10 g/mol
Exact Mass921.35
IUPAC Name10-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)oc5ccccc57)ccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3cc21
InChIInChI=1S/C66H43N5O/c1-66(2)55-24-14-12-22-47(55)49-36-52-50-34-43(44-28-32-57-51(35-44)53-37-54-48-23-13-15-25-61(48)72-62(54)39-60(53)70(57)45-20-10-5-11-21-45)29-33-58(50)71(59(52)38-56(49)66)46-30-26-42(27-31-46)65-68-63(40-16-6-3-7-17-40)67-64(69-65)41-18-8-4-9-19-41/h3-39H,1-2H3
InChIKeyNPDUELRINFJMFE-UHFFFAOYSA-N
XLogP16.94
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.10
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 10-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (CID 134223356) is 10-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 10-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 10-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)oc5ccccc57)ccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3cc21.
What is the InChIKey of 10-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The InChIKey is NPDUELRINFJMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N5O/c1-66(2)55-24-14-12-22-47(55)49-36-52-50-34-43(44-28-32-57-51(35-44)53-37-54-48-23-13-15-25-61(48)72-62(54)39-60(53)70(57)45-20-10-5-11-21-45)29-33-58(50)71(59(52)38-56(49)66)46-30-26-42(27-31-46)65-68-63(40-16-6-3-7-17-40)67-64(69-65)41-18-8-4-9-19-41/h3-39H,1-2H3.
What are the key properties of 10-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
10-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole has a molecular weight of 922.10 g/mol, XLogP of 16.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).