8-[2-[3-[3-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline

C100H68N10 — CID 139524762

IUPAC8-[2-[3-[3-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline
SMILESCc1cn2ccc3cc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc6c(ccn7cc(C)nc67)c5)cc(-c5cccc(-c6cc(-c7ccccc7-c7ccc8c(ccn9cc(C)nc89)c7)cc(-c7ccccc7-c7ccc8c(ccn9cc(C)nc89)c7)c6)c5-c5ccc(-c6ncccn6)cc5)c4)ccc3c2n1
InChIInChI=1S/C100H68N10/c1-61-57-107-43-37-71-47-67(29-33-91(71)97(107)103-61)81-15-5-9-19-85(81)75-51-76(86-20-10-6-16-82(86)68-30-34-92-72(48-68)38-44-108-58-62(2)104-98(92)108)54-79(53-75)89-23-13-24-90(95(89)65-25-27-66(28-26-65)96-101-41-14-42-102-96)80-55-77(87-21-11-7-17-83(87)69-31-35-93-73(49-69)39-45-109-59-63(3)105-99(93)109)52-78(56-80)88-22-12-8-18-84(88)70-32-36-94-74(50-70)40-46-110-60-64(4)106-100(94)110/h5-60H,1-4H3
InChIKeySJJRHRLMMCRKNL-UHFFFAOYSA-N
MW1409.71 g/mol
LogP24.92
Rot. Bonds12

About 8-[2-[3-[3-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline

8-[2-[3-[3-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline (PubChem CID 139524762) has the molecular formula C100H68N10 and a molecular weight of 1409.71 g/mol. Its IUPAC name is 8-[2-[3-[3-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name8-[2-[3-[3-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline
PubChem CID139524762
Molecular FormulaC100H68N10
Molecular Weight1409.71 g/mol
Exact Mass1408.56
IUPAC Name8-[2-[3-[3-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline
SMILESCc1cn2ccc3cc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc6c(ccn7cc(C)nc67)c5)cc(-c5cccc(-c6cc(-c7ccccc7-c7ccc8c(ccn9cc(C)nc89)c7)cc(-c7ccccc7-c7ccc8c(ccn9cc(C)nc89)c7)c6)c5-c5ccc(-c6ncccn6)cc5)c4)ccc3c2n1
InChIInChI=1S/C100H68N10/c1-61-57-107-43-37-71-47-67(29-33-91(71)97(107)103-61)81-15-5-9-19-85(81)75-51-76(86-20-10-6-16-82(86)68-30-34-92-72(48-68)38-44-108-58-62(2)104-98(92)108)54-79(53-75)89-23-13-24-90(95(89)65-25-27-66(28-26-65)96-101-41-14-42-102-96)80-55-77(87-21-11-7-17-83(87)69-31-35-93-73(49-69)39-45-109-59-63(3)105-99(93)109)52-78(56-80)88-22-12-8-18-84(88)70-32-36-94-74(50-70)40-46-110-60-64(4)106-100(94)110/h5-60H,1-4H3
InChIKeySJJRHRLMMCRKNL-UHFFFAOYSA-N
XLogP24.92
TPSA94.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001409.71
LogP ≤ 524.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 8-[2-[3-[3-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline with MolForge

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Related Compounds

2-(4-Methylphenyl)-3-[[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 122183051
7-Methyl-3-[[4-[(7-methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyrimidine
CID 122183054
2-(2-Methylphenyl)-3-[[4-[[2-(2-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 122183060
4-[4-(2-Methylimidazo[1,2-a]pyridin-7-yl)piperazin-1-yl]isoquinoline
CID 155540819
US11459329, Example 52
CID 151835103
US11840546, Example 2
CID 162389388
3-Methyl-2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine
CID 70116386
3-Methyl-2-[2-(8-methyl-1,5-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine
CID 70648801
2-[2-(7-Methyl-1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine
CID 70649345
3-Methyl-2-[2-(1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine
CID 70649675
3-Methyl-2-[2-(7-methyl-1,8-naphthyridin-2-yl)ethyl]imidazo[2,1-f][1,6]naphthyridine
CID 70649676
US9944647, Example 125
CID 122584005

Frequently Asked Questions

What is the IUPAC name of 8-[2-[3-[3-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline?
The IUPAC name of 8-[2-[3-[3-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline (CID 139524762) is 8-[2-[3-[3-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 8-[2-[3-[3-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline?
The canonical SMILES for 8-[2-[3-[3-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline is Cc1cn2ccc3cc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc6c(ccn7cc(C)nc67)c5)cc(-c5cccc(-c6cc(-c7ccccc7-c7ccc8c(ccn9cc(C)nc89)c7)cc(-c7ccccc7-c7ccc8c(ccn9cc(C)nc89)c7)c6)c5-c5ccc(-c6ncccn6)cc5)c4)ccc3c2n1.
What is the InChIKey of 8-[2-[3-[3-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline?
The InChIKey is SJJRHRLMMCRKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H68N10/c1-61-57-107-43-37-71-47-67(29-33-91(71)97(107)103-61)81-15-5-9-19-85(81)75-51-76(86-20-10-6-16-82(86)68-30-34-92-72(48-68)38-44-108-58-62(2)104-98(92)108)54-79(53-75)89-23-13-24-90(95(89)65-25-27-66(28-26-65)96-101-41-14-42-102-96)80-55-77(87-21-11-7-17-83(87)69-31-35-93-73(49-69)39-45-109-59-63(3)105-99(93)109)52-78(56-80)88-22-12-8-18-84(88)70-32-36-94-74(50-70)40-46-110-60-64(4)106-100(94)110/h5-60H,1-4H3.
What are the key properties of 8-[2-[3-[3-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline?
8-[2-[3-[3-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline has a molecular weight of 1409.71 g/mol, XLogP of 24.92, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[3-[3-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]-2-(4-pyrimidin-2-ylphenyl)phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 139524762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).