8-[2-[3-[2-[4-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline

C112H76N10 — CID 138744424

IUPAC8-[2-[3-[2-[4-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline
SMILESCc1cn2ccc3cc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6cc(-c7ccc(-c8ccccc8-c8cc(-c9ccccc9-c9ccc%10c(ccn%11cc(C)nc%10%11)c9)cc(-c9ccccc9-c9ccc%10c(ccn%11cc(C)nc%10%11)c9)c8)cc7)ncn6)cc5)cc(-c5ccccc5-c5ccc6c(ccn7cc(C)nc67)c5)c4)ccc3c2n1
InChIInChI=1S/C112H76N10/c1-69-64-119-49-45-81-53-77(37-41-103(81)109(119)115-69)93-19-7-13-25-99(93)87-57-85(58-88(61-87)100-26-14-8-20-94(100)78-38-42-104-82(54-78)46-50-120-65-70(2)116-110(104)120)97-23-11-5-17-91(97)73-29-33-75(34-30-73)107-63-108(114-68-113-107)76-35-31-74(32-36-76)92-18-6-12-24-98(92)86-59-89(101-27-15-9-21-95(101)79-39-43-105-83(55-79)47-51-121-66-71(3)117-111(105)121)62-90(60-86)102-28-16-10-22-96(102)80-40-44-106-84(56-80)48-52-122-67-72(4)118-112(106)122/h5-68H,1-4H3
InChIKeyZLQOMRZLGMQCNB-UHFFFAOYSA-N
MW1561.91 g/mol
LogP28.25
Rot. Bonds14

About 8-[2-[3-[2-[4-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline

8-[2-[3-[2-[4-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline (PubChem CID 138744424) has the molecular formula C112H76N10 and a molecular weight of 1561.91 g/mol. Its IUPAC name is 8-[2-[3-[2-[4-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]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-[2-[4-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline
PubChem CID138744424
Molecular FormulaC112H76N10
Molecular Weight1561.91 g/mol
Exact Mass1560.63
IUPAC Name8-[2-[3-[2-[4-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline
SMILESCc1cn2ccc3cc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6cc(-c7ccc(-c8ccccc8-c8cc(-c9ccccc9-c9ccc%10c(ccn%11cc(C)nc%10%11)c9)cc(-c9ccccc9-c9ccc%10c(ccn%11cc(C)nc%10%11)c9)c8)cc7)ncn6)cc5)cc(-c5ccccc5-c5ccc6c(ccn7cc(C)nc67)c5)c4)ccc3c2n1
InChIInChI=1S/C112H76N10/c1-69-64-119-49-45-81-53-77(37-41-103(81)109(119)115-69)93-19-7-13-25-99(93)87-57-85(58-88(61-87)100-26-14-8-20-94(100)78-38-42-104-82(54-78)46-50-120-65-70(2)116-110(104)120)97-23-11-5-17-91(97)73-29-33-75(34-30-73)107-63-108(114-68-113-107)76-35-31-74(32-36-76)92-18-6-12-24-98(92)86-59-89(101-27-15-9-21-95(101)79-39-43-105-83(55-79)47-51-121-66-71(3)117-111(105)121)62-90(60-86)102-28-16-10-22-96(102)80-40-44-106-84(56-80)48-52-122-67-72(4)118-112(106)122/h5-68H,1-4H3
InChIKeyZLQOMRZLGMQCNB-UHFFFAOYSA-N
XLogP28.25
TPSA94.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001561.91
LogP ≤ 528.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 8-[2-[3-[2-[4-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]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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Frequently Asked Questions

What is the IUPAC name of 8-[2-[3-[2-[4-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]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-[2-[4-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline (CID 138744424) is 8-[2-[3-[2-[4-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]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-[2-[4-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]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-[2-[4-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]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-c5ccc(-c6cc(-c7ccc(-c8ccccc8-c8cc(-c9ccccc9-c9ccc%10c(ccn%11cc(C)nc%10%11)c9)cc(-c9ccccc9-c9ccc%10c(ccn%11cc(C)nc%10%11)c9)c8)cc7)ncn6)cc5)cc(-c5ccccc5-c5ccc6c(ccn7cc(C)nc67)c5)c4)ccc3c2n1.
What is the InChIKey of 8-[2-[3-[2-[4-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline?
The InChIKey is ZLQOMRZLGMQCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H76N10/c1-69-64-119-49-45-81-53-77(37-41-103(81)109(119)115-69)93-19-7-13-25-99(93)87-57-85(58-88(61-87)100-26-14-8-20-94(100)78-38-42-104-82(54-78)46-50-120-65-70(2)116-110(104)120)97-23-11-5-17-91(97)73-29-33-75(34-30-73)107-63-108(114-68-113-107)76-35-31-74(32-36-76)92-18-6-12-24-98(92)86-59-89(101-27-15-9-21-95(101)79-39-43-105-83(55-79)47-51-121-66-71(3)117-111(105)121)62-90(60-86)102-28-16-10-22-96(102)80-40-44-106-84(56-80)48-52-122-67-72(4)118-112(106)122/h5-68H,1-4H3.
What are the key properties of 8-[2-[3-[2-[4-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]-2-methylimidazo[2,1-a]isoquinoline?
8-[2-[3-[2-[4-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]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 1561.91 g/mol, XLogP of 28.25, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[3-[2-[4-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]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 138744424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).