2-[4-[2-[3-[2-[3-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]-3-hydroxyphenyl]-3-pyridinyl]-2-methylimidazo[2,1-a]isoquinolin-8-yl]ethyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]phenyl]pyridin-4-ol

C102H80N10O2 — CID 139429209

IUPAC2-[4-[2-[3-[2-[3-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]-3-hydroxyphenyl]-3-pyridinyl]-2-methylimidazo[2,1-a]isoquinolin-8-yl]ethyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]phenyl]pyridin-4-ol
SMILESCc1cn2ccc3cc(CCc4cc(CCc5ccc6c(ccn7c(-c8ccc(-c9ccc(-c%10ccccc%10-c%10cc(CCc%11ccc%12c(ccn%13cc(C)nc%12%13)c%11)cc(CCc%11ccc%12c(ccn%13cc(C)nc%12%13)c%11)c%10)c(O)c9)nc8)c(C)nc67)c5)cc(-c5ccccc5-c5ccc(-c6cc(O)ccn6)cc5)c4)ccc3c2n1
InChIInChI=1S/C102H80N10O2/c1-63-60-109-43-38-77-49-67(21-31-89(77)99(109)105-63)13-17-71-47-72(54-83(53-71)87-10-6-5-9-86(87)75-25-27-76(28-26-75)96-58-85(113)37-42-103-96)18-16-70-24-34-92-80(52-70)41-46-112-98(66(4)108-102(92)112)82-30-36-95(104-59-82)81-29-35-94(97(114)57-81)93-12-8-7-11-88(93)84-55-73(19-14-68-22-32-90-78(50-68)39-44-110-61-64(2)106-100(90)110)48-74(56-84)20-15-69-23-33-91-79(51-69)40-45-111-62-65(3)107-101(91)111/h5-12,21-62,114H,13-20H2,1-4H3,(H,103,113)
InChIKeyRLVIQUXKNWQTCN-UHFFFAOYSA-N
MW1477.83 g/mol
LogP23.13
Rot. Bonds19

About 2-[4-[2-[3-[2-[3-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]-3-hydroxyphenyl]-3-pyridinyl]-2-methylimidazo[2,1-a]isoquinolin-8-yl]ethyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]phenyl]pyridin-4-ol

2-[4-[2-[3-[2-[3-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]-3-hydroxyphenyl]-3-pyridinyl]-2-methylimidazo[2,1-a]isoquinolin-8-yl]ethyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]phenyl]pyridin-4-ol (PubChem CID 139429209) has the molecular formula C102H80N10O2 and a molecular weight of 1477.83 g/mol. Its IUPAC name is 2-[4-[2-[3-[2-[3-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]-3-hydroxyphenyl]-3-pyridinyl]-2-methylimidazo[2,1-a]isoquinolin-8-yl]ethyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]phenyl]pyridin-4-ol.

Molecular Properties

Compound Name2-[4-[2-[3-[2-[3-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]-3-hydroxyphenyl]-3-pyridinyl]-2-methylimidazo[2,1-a]isoquinolin-8-yl]ethyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]phenyl]pyridin-4-ol
PubChem CID139429209
Molecular FormulaC102H80N10O2
Molecular Weight1477.83 g/mol
Exact Mass1476.65
IUPAC Name2-[4-[2-[3-[2-[3-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]-3-hydroxyphenyl]-3-pyridinyl]-2-methylimidazo[2,1-a]isoquinolin-8-yl]ethyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]phenyl]pyridin-4-ol
SMILESCc1cn2ccc3cc(CCc4cc(CCc5ccc6c(ccn7c(-c8ccc(-c9ccc(-c%10ccccc%10-c%10cc(CCc%11ccc%12c(ccn%13cc(C)nc%12%13)c%11)cc(CCc%11ccc%12c(ccn%13cc(C)nc%12%13)c%11)c%10)c(O)c9)nc8)c(C)nc67)c5)cc(-c5ccccc5-c5ccc(-c6cc(O)ccn6)cc5)c4)ccc3c2n1
InChIInChI=1S/C102H80N10O2/c1-63-60-109-43-38-77-49-67(21-31-89(77)99(109)105-63)13-17-71-47-72(54-83(53-71)87-10-6-5-9-86(87)75-25-27-76(28-26-75)96-58-85(113)37-42-103-96)18-16-70-24-34-92-80(52-70)41-46-112-98(66(4)108-102(92)112)82-30-36-95(104-59-82)81-29-35-94(97(114)57-81)93-12-8-7-11-88(93)84-55-73(19-14-68-22-32-90-78(50-68)39-44-110-61-64(2)106-100(90)110)48-74(56-84)20-15-69-23-33-91-79(51-69)40-45-111-62-65(3)107-101(91)111/h5-12,21-62,114H,13-20H2,1-4H3,(H,103,113)
InChIKeyRLVIQUXKNWQTCN-UHFFFAOYSA-N
XLogP23.13
TPSA135.44 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001477.83
LogP ≤ 523.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[2-[3-[2-[3-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]-3-hydroxyphenyl]-3-pyridinyl]-2-methylimidazo[2,1-a]isoquinolin-8-yl]ethyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]phenyl]pyridin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-[2-[3-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]-3-hydroxyphenyl]-3-pyridinyl]-2-methylimidazo[2,1-a]isoquinolin-8-yl]ethyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]phenyl]pyridin-4-ol?
The IUPAC name of 2-[4-[2-[3-[2-[3-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]-3-hydroxyphenyl]-3-pyridinyl]-2-methylimidazo[2,1-a]isoquinolin-8-yl]ethyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]phenyl]pyridin-4-ol (CID 139429209) is 2-[4-[2-[3-[2-[3-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]-3-hydroxyphenyl]-3-pyridinyl]-2-methylimidazo[2,1-a]isoquinolin-8-yl]ethyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]phenyl]pyridin-4-ol.
What is the SMILES notation for 2-[4-[2-[3-[2-[3-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]-3-hydroxyphenyl]-3-pyridinyl]-2-methylimidazo[2,1-a]isoquinolin-8-yl]ethyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]phenyl]pyridin-4-ol?
The canonical SMILES for 2-[4-[2-[3-[2-[3-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]-3-hydroxyphenyl]-3-pyridinyl]-2-methylimidazo[2,1-a]isoquinolin-8-yl]ethyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]phenyl]pyridin-4-ol is Cc1cn2ccc3cc(CCc4cc(CCc5ccc6c(ccn7c(-c8ccc(-c9ccc(-c%10ccccc%10-c%10cc(CCc%11ccc%12c(ccn%13cc(C)nc%12%13)c%11)cc(CCc%11ccc%12c(ccn%13cc(C)nc%12%13)c%11)c%10)c(O)c9)nc8)c(C)nc67)c5)cc(-c5ccccc5-c5ccc(-c6cc(O)ccn6)cc5)c4)ccc3c2n1.
What is the InChIKey of 2-[4-[2-[3-[2-[3-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]-3-hydroxyphenyl]-3-pyridinyl]-2-methylimidazo[2,1-a]isoquinolin-8-yl]ethyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]phenyl]pyridin-4-ol?
The InChIKey is RLVIQUXKNWQTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H80N10O2/c1-63-60-109-43-38-77-49-67(21-31-89(77)99(109)105-63)13-17-71-47-72(54-83(53-71)87-10-6-5-9-86(87)75-25-27-76(28-26-75)96-58-85(113)37-42-103-96)18-16-70-24-34-92-80(52-70)41-46-112-98(66(4)108-102(92)112)82-30-36-95(104-59-82)81-29-35-94(97(114)57-81)93-12-8-7-11-88(93)84-55-73(19-14-68-22-32-90-78(50-68)39-44-110-61-64(2)106-100(90)110)48-74(56-84)20-15-69-23-33-91-79(51-69)40-45-111-62-65(3)107-101(91)111/h5-12,21-62,114H,13-20H2,1-4H3,(H,103,113).
What are the key properties of 2-[4-[2-[3-[2-[3-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]-3-hydroxyphenyl]-3-pyridinyl]-2-methylimidazo[2,1-a]isoquinolin-8-yl]ethyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]phenyl]pyridin-4-ol?
2-[4-[2-[3-[2-[3-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]-3-hydroxyphenyl]-3-pyridinyl]-2-methylimidazo[2,1-a]isoquinolin-8-yl]ethyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]phenyl]pyridin-4-ol has a molecular weight of 1477.83 g/mol, XLogP of 23.13, 19 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-[2-[3-[6-[4-[2-[3,5-bis[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]-3-hydroxyphenyl]-3-pyridinyl]-2-methylimidazo[2,1-a]isoquinolin-8-yl]ethyl]-5-[2-(2-methylimidazo[2,1-a]isoquinolin-8-yl)ethyl]phenyl]phenyl]phenyl]pyridin-4-ol is sourced from PubChem (CID 139429209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).