5-[1-(11,11-dimethyl-6,6a-dihydroindeno[1,2-b]carbazol-5-yl)-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phthalazin-6-yl]-11,11-dimethylindeno[1,2-b]carbazole

C71H53N5 — CID 163437563

IUPAC5-[1-(11,11-dimethyl-6,6a-dihydroindeno[1,2-b]carbazol-5-yl)-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phthalazin-6-yl]-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)C2=Cc3c(n(-c4nnc(-n5c6ccccc6c6cc7c(cc65)-c5ccccc5C7(C)C)c5cc(-n6c7ccccc7c7cc8c(cc76)-c6ccccc6C8(C)C)ccc45)c4ccccc34)CC2c2ccccc21
InChIInChI=1S/C71H53N5/c1-69(2)55-25-13-7-19-41(55)48-37-64-51(34-58(48)69)44-22-10-16-28-61(44)74(64)40-31-32-47-54(33-40)68(76-63-30-18-12-24-46(63)53-36-60-50(39-66(53)76)43-21-9-15-27-57(43)71(60,5)6)73-72-67(47)75-62-29-17-11-23-45(62)52-35-59-49(38-65(52)75)42-20-8-14-26-56(42)70(59,3)4/h7-37,39,49H,38H2,1-6H3
InChIKeyAVTRWYOVEZDRSH-UHFFFAOYSA-N
MW976.24 g/mol
LogP17.40
Rot. Bonds3

About 5-[1-(11,11-dimethyl-6,6a-dihydroindeno[1,2-b]carbazol-5-yl)-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phthalazin-6-yl]-11,11-dimethylindeno[1,2-b]carbazole

5-[1-(11,11-dimethyl-6,6a-dihydroindeno[1,2-b]carbazol-5-yl)-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phthalazin-6-yl]-11,11-dimethylindeno[1,2-b]carbazole (PubChem CID 163437563) has the molecular formula C71H53N5 and a molecular weight of 976.24 g/mol. Its IUPAC name is 5-[1-(11,11-dimethyl-6,6a-dihydroindeno[1,2-b]carbazol-5-yl)-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phthalazin-6-yl]-11,11-dimethylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-[1-(11,11-dimethyl-6,6a-dihydroindeno[1,2-b]carbazol-5-yl)-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phthalazin-6-yl]-11,11-dimethylindeno[1,2-b]carbazole
PubChem CID163437563
Molecular FormulaC71H53N5
Molecular Weight976.24 g/mol
Exact Mass975.43
IUPAC Name5-[1-(11,11-dimethyl-6,6a-dihydroindeno[1,2-b]carbazol-5-yl)-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phthalazin-6-yl]-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)C2=Cc3c(n(-c4nnc(-n5c6ccccc6c6cc7c(cc65)-c5ccccc5C7(C)C)c5cc(-n6c7ccccc7c7cc8c(cc76)-c6ccccc6C8(C)C)ccc45)c4ccccc34)CC2c2ccccc21
InChIInChI=1S/C71H53N5/c1-69(2)55-25-13-7-19-41(55)48-37-64-51(34-58(48)69)44-22-10-16-28-61(44)74(64)40-31-32-47-54(33-40)68(76-63-30-18-12-24-46(63)53-36-60-50(39-66(53)76)43-21-9-15-27-57(43)71(60,5)6)73-72-67(47)75-62-29-17-11-23-45(62)52-35-59-49(38-65(52)75)42-20-8-14-26-56(42)70(59,3)4/h7-37,39,49H,38H2,1-6H3
InChIKeyAVTRWYOVEZDRSH-UHFFFAOYSA-N
XLogP17.40
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.24
LogP ≤ 517.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[1-(11,11-dimethyl-6,6a-dihydroindeno[1,2-b]carbazol-5-yl)-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phthalazin-6-yl]-11,11-dimethylindeno[1,2-b]carbazole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(11,11-dimethyl-6,6a-dihydroindeno[1,2-b]carbazol-5-yl)-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phthalazin-6-yl]-11,11-dimethylindeno[1,2-b]carbazole?
The IUPAC name of 5-[1-(11,11-dimethyl-6,6a-dihydroindeno[1,2-b]carbazol-5-yl)-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phthalazin-6-yl]-11,11-dimethylindeno[1,2-b]carbazole (CID 163437563) is 5-[1-(11,11-dimethyl-6,6a-dihydroindeno[1,2-b]carbazol-5-yl)-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phthalazin-6-yl]-11,11-dimethylindeno[1,2-b]carbazole.
What is the SMILES notation for 5-[1-(11,11-dimethyl-6,6a-dihydroindeno[1,2-b]carbazol-5-yl)-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phthalazin-6-yl]-11,11-dimethylindeno[1,2-b]carbazole?
The canonical SMILES for 5-[1-(11,11-dimethyl-6,6a-dihydroindeno[1,2-b]carbazol-5-yl)-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phthalazin-6-yl]-11,11-dimethylindeno[1,2-b]carbazole is CC1(C)C2=Cc3c(n(-c4nnc(-n5c6ccccc6c6cc7c(cc65)-c5ccccc5C7(C)C)c5cc(-n6c7ccccc7c7cc8c(cc76)-c6ccccc6C8(C)C)ccc45)c4ccccc34)CC2c2ccccc21.
What is the InChIKey of 5-[1-(11,11-dimethyl-6,6a-dihydroindeno[1,2-b]carbazol-5-yl)-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phthalazin-6-yl]-11,11-dimethylindeno[1,2-b]carbazole?
The InChIKey is AVTRWYOVEZDRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H53N5/c1-69(2)55-25-13-7-19-41(55)48-37-64-51(34-58(48)69)44-22-10-16-28-61(44)74(64)40-31-32-47-54(33-40)68(76-63-30-18-12-24-46(63)53-36-60-50(39-66(53)76)43-21-9-15-27-57(43)71(60,5)6)73-72-67(47)75-62-29-17-11-23-45(62)52-35-59-49(38-65(52)75)42-20-8-14-26-56(42)70(59,3)4/h7-37,39,49H,38H2,1-6H3.
What are the key properties of 5-[1-(11,11-dimethyl-6,6a-dihydroindeno[1,2-b]carbazol-5-yl)-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phthalazin-6-yl]-11,11-dimethylindeno[1,2-b]carbazole?
5-[1-(11,11-dimethyl-6,6a-dihydroindeno[1,2-b]carbazol-5-yl)-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phthalazin-6-yl]-11,11-dimethylindeno[1,2-b]carbazole has a molecular weight of 976.24 g/mol, XLogP of 17.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(11,11-dimethyl-6,6a-dihydroindeno[1,2-b]carbazol-5-yl)-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phthalazin-6-yl]-11,11-dimethylindeno[1,2-b]carbazole is sourced from PubChem (CID 163437563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).