4-(4,6,10,12,16,18,22,24,25,26,27,28-dodecamethyl-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)pyridine

C60H60N4 — CID 12022672

IUPAC4-(4,6,10,12,16,18,22,24,25,26,27,28-dodecamethyl-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)pyridine
SMILESCc1c2c(C)c(-c3ccncc3)c(C)c1Cc1c(C)c(c(C)c(-c3ccncc3)c1C)Cc1c(C)c(c(C)c(-c3ccncc3)c1C)Cc1c(C)c(c(C)c(-c3ccncc3)c1C)C2
InChIInChI=1S/C60H60N4/c1-33-49-29-51-34(2)53(41(9)58(39(51)7)46-15-23-62-24-16-46)31-55-36(4)56(44(12)60(43(55)11)48-19-27-64-28-20-48)32-54-35(3)52(40(8)59(42(54)10)47-17-25-63-26-18-47)30-50(33)38(6)57(37(49)5)45-13-21-61-22-14-45/h13-28H,29-32H2,1-12H3
InChIKeyIQXIBNVXGFRRCG-UHFFFAOYSA-N
MW837.17 g/mol
LogP14.31
Rot. Bonds4

About 4-(4,6,10,12,16,18,22,24,25,26,27,28-dodecamethyl-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)pyridine

4-(4,6,10,12,16,18,22,24,25,26,27,28-dodecamethyl-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)pyridine (PubChem CID 12022672) has the molecular formula C60H60N4 and a molecular weight of 837.17 g/mol. Its IUPAC name is 4-(4,6,10,12,16,18,22,24,25,26,27,28-dodecamethyl-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)pyridine.

Molecular Properties

Compound Name4-(4,6,10,12,16,18,22,24,25,26,27,28-dodecamethyl-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)pyridine
PubChem CID12022672
Molecular FormulaC60H60N4
Molecular Weight837.17 g/mol
Exact Mass836.48
IUPAC Name4-(4,6,10,12,16,18,22,24,25,26,27,28-dodecamethyl-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)pyridine
SMILESCc1c2c(C)c(-c3ccncc3)c(C)c1Cc1c(C)c(c(C)c(-c3ccncc3)c1C)Cc1c(C)c(c(C)c(-c3ccncc3)c1C)Cc1c(C)c(c(C)c(-c3ccncc3)c1C)C2
InChIInChI=1S/C60H60N4/c1-33-49-29-51-34(2)53(41(9)58(39(51)7)46-15-23-62-24-16-46)31-55-36(4)56(44(12)60(43(55)11)48-19-27-64-28-20-48)32-54-35(3)52(40(8)59(42(54)10)47-17-25-63-26-18-47)30-50(33)38(6)57(37(49)5)45-13-21-61-22-14-45/h13-28H,29-32H2,1-12H3
InChIKeyIQXIBNVXGFRRCG-UHFFFAOYSA-N
XLogP14.31
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.17
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4,6,10,12,16,18,22,24,25,26,27,28-dodecamethyl-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6,10,12,16,18,22,24,25,26,27,28-dodecamethyl-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)pyridine?
The IUPAC name of 4-(4,6,10,12,16,18,22,24,25,26,27,28-dodecamethyl-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)pyridine (CID 12022672) is 4-(4,6,10,12,16,18,22,24,25,26,27,28-dodecamethyl-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)pyridine.
What is the SMILES notation for 4-(4,6,10,12,16,18,22,24,25,26,27,28-dodecamethyl-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)pyridine?
The canonical SMILES for 4-(4,6,10,12,16,18,22,24,25,26,27,28-dodecamethyl-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)pyridine is Cc1c2c(C)c(-c3ccncc3)c(C)c1Cc1c(C)c(c(C)c(-c3ccncc3)c1C)Cc1c(C)c(c(C)c(-c3ccncc3)c1C)Cc1c(C)c(c(C)c(-c3ccncc3)c1C)C2.
What is the InChIKey of 4-(4,6,10,12,16,18,22,24,25,26,27,28-dodecamethyl-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)pyridine?
The InChIKey is IQXIBNVXGFRRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H60N4/c1-33-49-29-51-34(2)53(41(9)58(39(51)7)46-15-23-62-24-16-46)31-55-36(4)56(44(12)60(43(55)11)48-19-27-64-28-20-48)32-54-35(3)52(40(8)59(42(54)10)47-17-25-63-26-18-47)30-50(33)38(6)57(37(49)5)45-13-21-61-22-14-45/h13-28H,29-32H2,1-12H3.
What are the key properties of 4-(4,6,10,12,16,18,22,24,25,26,27,28-dodecamethyl-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)pyridine?
4-(4,6,10,12,16,18,22,24,25,26,27,28-dodecamethyl-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)pyridine has a molecular weight of 837.17 g/mol, XLogP of 14.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6,10,12,16,18,22,24,25,26,27,28-dodecamethyl-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)pyridine is sourced from PubChem (CID 12022672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).