13,19,24,30,49,55,60,66,77,82,83,84-dodecazapentadecacyclo[35.35.4.46,42.12,5.138,41.173,76.07,12.015,19.024,28.031,36.043,48.051,55.060,64.067,72.178,81]tetraoctaconta-1,3,5,7,9,11,21,31,33,35,37(76),38,40,42(78),43,45,47,57,67,69,71,73(77),74,79,81(84)-pentacosaene-14,20,23,29,50,56,59,65-octone

C72H62N12O8 — CID 22835307

IUPAC13,19,24,30,49,55,60,66,77,82,83,84-dodecazapentadecacyclo[35.35.4.46,42.12,5.138,41.173,76.07,12.015,19.024,28.031,36.043,48.051,55.060,64.067,72.178,81]tetraoctaconta-1,3,5,7,9,11,21,31,33,35,37(76),38,40,42(78),43,45,47,57,67,69,71,73(77),74,79,81(84)-pentacosaene-14,20,23,29,50,56,59,65-octone
SMILESO=C1Nc2ccccc2-c2c3nc(c4c5ccc([nH]5)c(c5nc(c(c6ccc2[nH]6)-c2ccccc2NC(=O)C2CCCN2C(=O)C=CC(=O)N2CCCC2C(=O)Nc2ccccc2-4)C=C5)-c2ccccc2NC(=O)C2CCCN2C(=O)C=CC(=O)N2CCCC12)C=C3
InChIInChI=1S/C72H62N12O8/c85-61-33-34-62(86)82-38-12-24-60(82)72(92)80-48-20-8-4-16-44(48)68-55-31-29-53(75-55)66-42-14-2-6-18-46(42)78-70(90)58-22-10-39-83(58)63(87)35-36-64(88)84-40-11-23-59(84)71(91)79-47-19-7-3-15-43(47)67(54-30-32-56(68)76-54)52-28-26-50(74-52)65(49-25-27-51(66)73-49)41-13-1-5-17-45(41)77-69(89)57-21-9-37-81(57)61/h1-8,13-20,25-36,57-60,73,76H,9-12,21-24,37-40H2,(H,77,89)(H,78,90)(H,79,91)(H,80,92)/b34-33?,36-35?,65-49-,65-50-,66-51-,66-53+,67-52-,67-54+,68-55-,68-56-
InChIKeyABSMCAHKPVKUAZ-FBWVAUEGSA-N
MW1223.36 g/mol
LogP10.18
Rot. Bonds

About 13,19,24,30,49,55,60,66,77,82,83,84-dodecazapentadecacyclo[35.35.4.46,42.12,5.138,41.173,76.07,12.015,19.024,28.031,36.043,48.051,55.060,64.067,72.178,81]tetraoctaconta-1,3,5,7,9,11,21,31,33,35,37(76),38,40,42(78),43,45,47,57,67,69,71,73(77),74,79,81(84)-pentacosaene-14,20,23,29,50,56,59,65-octone

13,19,24,30,49,55,60,66,77,82,83,84-dodecazapentadecacyclo[35.35.4.46,42.12,5.138,41.173,76.07,12.015,19.024,28.031,36.043,48.051,55.060,64.067,72.178,81]tetraoctaconta-1,3,5,7,9,11,21,31,33,35,37(76),38,40,42(78),43,45,47,57,67,69,71,73(77),74,79,81(84)-pentacosaene-14,20,23,29,50,56,59,65-octone (PubChem CID 22835307) has the molecular formula C72H62N12O8 and a molecular weight of 1223.36 g/mol. Its IUPAC name is 13,19,24,30,49,55,60,66,77,82,83,84-dodecazapentadecacyclo[35.35.4.46,42.12,5.138,41.173,76.07,12.015,19.024,28.031,36.043,48.051,55.060,64.067,72.178,81]tetraoctaconta-1,3,5,7,9,11,21,31,33,35,37(76),38,40,42(78),43,45,47,57,67,69,71,73(77),74,79,81(84)-pentacosaene-14,20,23,29,50,56,59,65-octone.

Molecular Properties

Compound Name13,19,24,30,49,55,60,66,77,82,83,84-dodecazapentadecacyclo[35.35.4.46,42.12,5.138,41.173,76.07,12.015,19.024,28.031,36.043,48.051,55.060,64.067,72.178,81]tetraoctaconta-1,3,5,7,9,11,21,31,33,35,37(76),38,40,42(78),43,45,47,57,67,69,71,73(77),74,79,81(84)-pentacosaene-14,20,23,29,50,56,59,65-octone
PubChem CID22835307
Molecular FormulaC72H62N12O8
Molecular Weight1223.36 g/mol
Exact Mass1222.48
IUPAC Name13,19,24,30,49,55,60,66,77,82,83,84-dodecazapentadecacyclo[35.35.4.46,42.12,5.138,41.173,76.07,12.015,19.024,28.031,36.043,48.051,55.060,64.067,72.178,81]tetraoctaconta-1,3,5,7,9,11,21,31,33,35,37(76),38,40,42(78),43,45,47,57,67,69,71,73(77),74,79,81(84)-pentacosaene-14,20,23,29,50,56,59,65-octone
SMILESO=C1Nc2ccccc2-c2c3nc(c4c5ccc([nH]5)c(c5nc(c(c6ccc2[nH]6)-c2ccccc2NC(=O)C2CCCN2C(=O)C=CC(=O)N2CCCC2C(=O)Nc2ccccc2-4)C=C5)-c2ccccc2NC(=O)C2CCCN2C(=O)C=CC(=O)N2CCCC12)C=C3
InChIInChI=1S/C72H62N12O8/c85-61-33-34-62(86)82-38-12-24-60(82)72(92)80-48-20-8-4-16-44(48)68-55-31-29-53(75-55)66-42-14-2-6-18-46(42)78-70(90)58-22-10-39-83(58)63(87)35-36-64(88)84-40-11-23-59(84)71(91)79-47-19-7-3-15-43(47)67(54-30-32-56(68)76-54)52-28-26-50(74-52)65(49-25-27-51(66)73-49)41-13-1-5-17-45(41)77-69(89)57-21-9-37-81(57)61/h1-8,13-20,25-36,57-60,73,76H,9-12,21-24,37-40H2,(H,77,89)(H,78,90)(H,79,91)(H,80,92)/b34-33?,36-35?,65-49-,65-50-,66-51-,66-53+,67-52-,67-54+,68-55-,68-56-
InChIKeyABSMCAHKPVKUAZ-FBWVAUEGSA-N
XLogP10.18
TPSA255.00 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001223.36
LogP ≤ 510.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 13,19,24,30,49,55,60,66,77,82,83,84-dodecazapentadecacyclo[35.35.4.46,42.12,5.138,41.173,76.07,12.015,19.024,28.031,36.043,48.051,55.060,64.067,72.178,81]tetraoctaconta-1,3,5,7,9,11,21,31,33,35,37(76),38,40,42(78),43,45,47,57,67,69,71,73(77),74,79,81(84)-pentacosaene-14,20,23,29,50,56,59,65-octone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13,19,24,30,49,55,60,66,77,82,83,84-dodecazapentadecacyclo[35.35.4.46,42.12,5.138,41.173,76.07,12.015,19.024,28.031,36.043,48.051,55.060,64.067,72.178,81]tetraoctaconta-1,3,5,7,9,11,21,31,33,35,37(76),38,40,42(78),43,45,47,57,67,69,71,73(77),74,79,81(84)-pentacosaene-14,20,23,29,50,56,59,65-octone?
The IUPAC name of 13,19,24,30,49,55,60,66,77,82,83,84-dodecazapentadecacyclo[35.35.4.46,42.12,5.138,41.173,76.07,12.015,19.024,28.031,36.043,48.051,55.060,64.067,72.178,81]tetraoctaconta-1,3,5,7,9,11,21,31,33,35,37(76),38,40,42(78),43,45,47,57,67,69,71,73(77),74,79,81(84)-pentacosaene-14,20,23,29,50,56,59,65-octone (CID 22835307) is 13,19,24,30,49,55,60,66,77,82,83,84-dodecazapentadecacyclo[35.35.4.46,42.12,5.138,41.173,76.07,12.015,19.024,28.031,36.043,48.051,55.060,64.067,72.178,81]tetraoctaconta-1,3,5,7,9,11,21,31,33,35,37(76),38,40,42(78),43,45,47,57,67,69,71,73(77),74,79,81(84)-pentacosaene-14,20,23,29,50,56,59,65-octone.
What is the SMILES notation for 13,19,24,30,49,55,60,66,77,82,83,84-dodecazapentadecacyclo[35.35.4.46,42.12,5.138,41.173,76.07,12.015,19.024,28.031,36.043,48.051,55.060,64.067,72.178,81]tetraoctaconta-1,3,5,7,9,11,21,31,33,35,37(76),38,40,42(78),43,45,47,57,67,69,71,73(77),74,79,81(84)-pentacosaene-14,20,23,29,50,56,59,65-octone?
The canonical SMILES for 13,19,24,30,49,55,60,66,77,82,83,84-dodecazapentadecacyclo[35.35.4.46,42.12,5.138,41.173,76.07,12.015,19.024,28.031,36.043,48.051,55.060,64.067,72.178,81]tetraoctaconta-1,3,5,7,9,11,21,31,33,35,37(76),38,40,42(78),43,45,47,57,67,69,71,73(77),74,79,81(84)-pentacosaene-14,20,23,29,50,56,59,65-octone is O=C1Nc2ccccc2-c2c3nc(c4c5ccc([nH]5)c(c5nc(c(c6ccc2[nH]6)-c2ccccc2NC(=O)C2CCCN2C(=O)C=CC(=O)N2CCCC2C(=O)Nc2ccccc2-4)C=C5)-c2ccccc2NC(=O)C2CCCN2C(=O)C=CC(=O)N2CCCC12)C=C3.
What is the InChIKey of 13,19,24,30,49,55,60,66,77,82,83,84-dodecazapentadecacyclo[35.35.4.46,42.12,5.138,41.173,76.07,12.015,19.024,28.031,36.043,48.051,55.060,64.067,72.178,81]tetraoctaconta-1,3,5,7,9,11,21,31,33,35,37(76),38,40,42(78),43,45,47,57,67,69,71,73(77),74,79,81(84)-pentacosaene-14,20,23,29,50,56,59,65-octone?
The InChIKey is ABSMCAHKPVKUAZ-FBWVAUEGSA-N. The full InChI is InChI=1S/C72H62N12O8/c85-61-33-34-62(86)82-38-12-24-60(82)72(92)80-48-20-8-4-16-44(48)68-55-31-29-53(75-55)66-42-14-2-6-18-46(42)78-70(90)58-22-10-39-83(58)63(87)35-36-64(88)84-40-11-23-59(84)71(91)79-47-19-7-3-15-43(47)67(54-30-32-56(68)76-54)52-28-26-50(74-52)65(49-25-27-51(66)73-49)41-13-1-5-17-45(41)77-69(89)57-21-9-37-81(57)61/h1-8,13-20,25-36,57-60,73,76H,9-12,21-24,37-40H2,(H,77,89)(H,78,90)(H,79,91)(H,80,92)/b34-33?,36-35?,65-49-,65-50-,66-51-,66-53+,67-52-,67-54+,68-55-,68-56-.
What are the key properties of 13,19,24,30,49,55,60,66,77,82,83,84-dodecazapentadecacyclo[35.35.4.46,42.12,5.138,41.173,76.07,12.015,19.024,28.031,36.043,48.051,55.060,64.067,72.178,81]tetraoctaconta-1,3,5,7,9,11,21,31,33,35,37(76),38,40,42(78),43,45,47,57,67,69,71,73(77),74,79,81(84)-pentacosaene-14,20,23,29,50,56,59,65-octone?
13,19,24,30,49,55,60,66,77,82,83,84-dodecazapentadecacyclo[35.35.4.46,42.12,5.138,41.173,76.07,12.015,19.024,28.031,36.043,48.051,55.060,64.067,72.178,81]tetraoctaconta-1,3,5,7,9,11,21,31,33,35,37(76),38,40,42(78),43,45,47,57,67,69,71,73(77),74,79,81(84)-pentacosaene-14,20,23,29,50,56,59,65-octone has a molecular weight of 1223.36 g/mol, XLogP of 10.18, 0 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 13,19,24,30,49,55,60,66,77,82,83,84-dodecazapentadecacyclo[35.35.4.46,42.12,5.138,41.173,76.07,12.015,19.024,28.031,36.043,48.051,55.060,64.067,72.178,81]tetraoctaconta-1,3,5,7,9,11,21,31,33,35,37(76),38,40,42(78),43,45,47,57,67,69,71,73(77),74,79,81(84)-pentacosaene-14,20,23,29,50,56,59,65-octone is sourced from PubChem (CID 22835307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).