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

C57H41N5 — CID 66804931

IUPAC2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7cc8c(cc76)C(C)(C)c6ccccc6-8)n5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C57H41N5/c1-56(2)46-25-15-12-22-38(46)41-31-44-42-29-35(27-28-50(42)61(51(44)32-47(41)56)36-19-9-6-10-20-36)54-58-53(34-17-7-5-8-18-34)59-55(60-54)62-49-26-16-13-23-39(49)43-30-40-37-21-11-14-24-45(37)57(3,4)48(40)33-52(43)62/h5-33H,1-4H3
InChIKeyFUVVWYYKCAWKMD-UHFFFAOYSA-N
MW795.99 g/mol
LogP14.01
Rot. Bonds4

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

2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole (PubChem CID 66804931) has the molecular formula C57H41N5 and a molecular weight of 795.99 g/mol. Its IUPAC name is 2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
PubChem CID66804931
Molecular FormulaC57H41N5
Molecular Weight795.99 g/mol
Exact Mass795.34
IUPAC Name2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7cc8c(cc76)C(C)(C)c6ccccc6-8)n5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C57H41N5/c1-56(2)46-25-15-12-22-38(46)41-31-44-42-29-35(27-28-50(42)61(51(44)32-47(41)56)36-19-9-6-10-20-36)54-58-53(34-17-7-5-8-18-34)59-55(60-54)62-49-26-16-13-23-39(49)43-30-40-37-21-11-14-24-45(37)57(3,4)48(40)33-52(43)62/h5-33H,1-4H3
InChIKeyFUVVWYYKCAWKMD-UHFFFAOYSA-N
XLogP14.01
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.99
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-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-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The IUPAC name of 2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole (CID 66804931) is 2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole.
What is the SMILES notation for 2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The canonical SMILES for 2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7cc8c(cc76)C(C)(C)c6ccccc6-8)n5)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The InChIKey is FUVVWYYKCAWKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N5/c1-56(2)46-25-15-12-22-38(46)41-31-44-42-29-35(27-28-50(42)61(51(44)32-47(41)56)36-19-9-6-10-20-36)54-58-53(34-17-7-5-8-18-34)59-55(60-54)62-49-26-16-13-23-39(49)43-30-40-37-21-11-14-24-45(37)57(3,4)48(40)33-52(43)62/h5-33H,1-4H3.
What are the key properties of 2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole has a molecular weight of 795.99 g/mol, XLogP of 14.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole is sourced from PubChem (CID 66804931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).