5-[5-(5,5-dimethyl-2,7,8-triphenyl-1,4-dihydroindeno[1,2-d]pyrimidin-4-yl)quinolin-8-yl]benzo[b]carbazole

C56H40N4 — CID 137433456

IUPAC5-[5-(5,5-dimethyl-2,7,8-triphenyl-1,4-dihydroindeno[1,2-d]pyrimidin-4-yl)quinolin-8-yl]benzo[b]carbazole
SMILESCC1(C)C2=C(NC(c3ccccc3)=NC2c2ccc(-n3c4ccccc4c4cc5ccccc5cc43)c3ncccc23)c2cc(-c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C56H40N4/c1-56(2)47-34-44(36-19-8-4-9-20-36)43(35-17-6-3-7-18-35)33-46(47)54-51(56)53(58-55(59-54)37-21-10-5-11-22-37)42-28-29-49(52-41(42)26-16-30-57-52)60-48-27-15-14-25-40(48)45-31-38-23-12-13-24-39(38)32-50(45)60/h3-34,53H,1-2H3,(H,58,59)
InChIKeyVKTVTCWKGGDUEN-UHFFFAOYSA-N
MW768.96 g/mol
LogP13.61
Rot. Bonds5

About 5-[5-(5,5-dimethyl-2,7,8-triphenyl-1,4-dihydroindeno[1,2-d]pyrimidin-4-yl)quinolin-8-yl]benzo[b]carbazole

5-[5-(5,5-dimethyl-2,7,8-triphenyl-1,4-dihydroindeno[1,2-d]pyrimidin-4-yl)quinolin-8-yl]benzo[b]carbazole (PubChem CID 137433456) has the molecular formula C56H40N4 and a molecular weight of 768.96 g/mol. Its IUPAC name is 5-[5-(5,5-dimethyl-2,7,8-triphenyl-1,4-dihydroindeno[1,2-d]pyrimidin-4-yl)quinolin-8-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[5-(5,5-dimethyl-2,7,8-triphenyl-1,4-dihydroindeno[1,2-d]pyrimidin-4-yl)quinolin-8-yl]benzo[b]carbazole
PubChem CID137433456
Molecular FormulaC56H40N4
Molecular Weight768.96 g/mol
Exact Mass768.33
IUPAC Name5-[5-(5,5-dimethyl-2,7,8-triphenyl-1,4-dihydroindeno[1,2-d]pyrimidin-4-yl)quinolin-8-yl]benzo[b]carbazole
SMILESCC1(C)C2=C(NC(c3ccccc3)=NC2c2ccc(-n3c4ccccc4c4cc5ccccc5cc43)c3ncccc23)c2cc(-c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C56H40N4/c1-56(2)47-34-44(36-19-8-4-9-20-36)43(35-17-6-3-7-18-35)33-46(47)54-51(56)53(58-55(59-54)37-21-10-5-11-22-37)42-28-29-49(52-41(42)26-16-30-57-52)60-48-27-15-14-25-40(48)45-31-38-23-12-13-24-39(38)32-50(45)60/h3-34,53H,1-2H3,(H,58,59)
InChIKeyVKTVTCWKGGDUEN-UHFFFAOYSA-N
XLogP13.61
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.96
LogP ≤ 513.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(8-phenylquinoxalin-5-yl)benzo[b]carbazole
CID 139361603
5-(4-dibenzofuran-4-yl-5,5-dimethyl-1,4-dihydroindeno[1,2-d]pyrimidin-2-yl)benzo[b]carbazole
CID 146181652
5-[2-dibenzofuran-4-yl-4-[2-(3-phenylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155475017
5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155474982
12-[8-(9-phenylcarbazol-2-yl)quinoxalin-5-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 139362045
5-[2-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 166961031
5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 163570701
5-[4-[2,6-bis(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-2-dibenzothiophen-4-ylphenyl]benzo[b]carbazole
CID 155475191
5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603721
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole
CID 164797310
9-[2-(4-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166916359
11,19-bis(3-benzo[h]quinolin-10-ylphenyl)-15,15-dimethyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118003236

Frequently Asked Questions

What is the IUPAC name of 5-[5-(5,5-dimethyl-2,7,8-triphenyl-1,4-dihydroindeno[1,2-d]pyrimidin-4-yl)quinolin-8-yl]benzo[b]carbazole?
The IUPAC name of 5-[5-(5,5-dimethyl-2,7,8-triphenyl-1,4-dihydroindeno[1,2-d]pyrimidin-4-yl)quinolin-8-yl]benzo[b]carbazole (CID 137433456) is 5-[5-(5,5-dimethyl-2,7,8-triphenyl-1,4-dihydroindeno[1,2-d]pyrimidin-4-yl)quinolin-8-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[5-(5,5-dimethyl-2,7,8-triphenyl-1,4-dihydroindeno[1,2-d]pyrimidin-4-yl)quinolin-8-yl]benzo[b]carbazole?
The canonical SMILES for 5-[5-(5,5-dimethyl-2,7,8-triphenyl-1,4-dihydroindeno[1,2-d]pyrimidin-4-yl)quinolin-8-yl]benzo[b]carbazole is CC1(C)C2=C(NC(c3ccccc3)=NC2c2ccc(-n3c4ccccc4c4cc5ccccc5cc43)c3ncccc23)c2cc(-c3ccccc3)c(-c3ccccc3)cc21.
What is the InChIKey of 5-[5-(5,5-dimethyl-2,7,8-triphenyl-1,4-dihydroindeno[1,2-d]pyrimidin-4-yl)quinolin-8-yl]benzo[b]carbazole?
The InChIKey is VKTVTCWKGGDUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N4/c1-56(2)47-34-44(36-19-8-4-9-20-36)43(35-17-6-3-7-18-35)33-46(47)54-51(56)53(58-55(59-54)37-21-10-5-11-22-37)42-28-29-49(52-41(42)26-16-30-57-52)60-48-27-15-14-25-40(48)45-31-38-23-12-13-24-39(38)32-50(45)60/h3-34,53H,1-2H3,(H,58,59).
What are the key properties of 5-[5-(5,5-dimethyl-2,7,8-triphenyl-1,4-dihydroindeno[1,2-d]pyrimidin-4-yl)quinolin-8-yl]benzo[b]carbazole?
5-[5-(5,5-dimethyl-2,7,8-triphenyl-1,4-dihydroindeno[1,2-d]pyrimidin-4-yl)quinolin-8-yl]benzo[b]carbazole has a molecular weight of 768.96 g/mol, XLogP of 13.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(5,5-dimethyl-2,7,8-triphenyl-1,4-dihydroindeno[1,2-d]pyrimidin-4-yl)quinolin-8-yl]benzo[b]carbazole is sourced from PubChem (CID 137433456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).