86,88,95,97-tetrabutyl-25,28,31,34,37,65,68,71,74,77-decaoxa-7,15,47,55,86,87,88,95,96,97-decazapentadecacyclo[76.2.2.221,24.238,41.261,64.12,6.15,8.19,13.114,17.116,20.142,46.145,48.149,53.154,57.156,60]octanonaconta-1(80),2(98),3,5,7,9(96),10,12,14,16,18,20(94),21(93),22,24(92),38(91),39,41(90),42(89),43,45,47,49,51,53(87),54,56,58,60(85),61,63,78,81,83-tetratriacontaene

C94H102N10O10 — CID 134961464

About 86,88,95,97-tetrabutyl-25,28,31,34,37,65,68,71,74,77-decaoxa-7,15,47,55,86,87,88,95,96,97-decazapentadecacyclo[76.2.2.221,24.238,41.261,64.12,6.15,8.19,13.114,17.116,20.142,46.145,48.149,53.154,57.156,60]octanonaconta-1(80),2(98),3,5,7,9(96),10,12,14,16,18,20(94),21(93),22,24(92),38(91),39,41(90),42(89),43,45,47,49,51,53(87),54,56,58,60(85),61,63,78,81,83-tetratriacontaene

86,88,95,97-tetrabutyl-25,28,31,34,37,65,68,71,74,77-decaoxa-7,15,47,55,86,87,88,95,96,97-decazapentadecacyclo[76.2.2.221,24.238,41.261,64.12,6.15,8.19,13.114,17.116,20.142,46.145,48.149,53.154,57.156,60]octanonaconta-1(80),2(98),3,5,7,9(96),10,12,14,16,18,20(94),21(93),22,24(92),38(91),39,41(90),42(89),43,45,47,49,51,53(87),54,56,58,60(85),61,63,78,81,83-tetratriacontaene (PubChem CID 134961464) has the molecular formula C94H102N10O10 and a molecular weight of 1531.91 g/mol. Its IUPAC name is 86,88,95,97-tetrabutyl-25,28,31,34,37,65,68,71,74,77-decaoxa-7,15,47,55,86,87,88,95,96,97-decazapentadecacyclo[76.2.2.221,24.238,41.261,64.12,6.15,8.19,13.114,17.116,20.142,46.145,48.149,53.154,57.156,60]octanonaconta-1(80),2(98),3,5,7,9(96),10,12,14,16,18,20(94),21(93),22,24(92),38(91),39,41(90),42(89),43,45,47,49,51,53(87),54,56,58,60(85),61,63,78,81,83-tetratriacontaene.

Molecular Properties

• Compound Name: 86,88,95,97-tetrabutyl-25,28,31,34,37,65,68,71,74,77-decaoxa-7,15,47,55,86,87,88,95,96,97-decazapentadecacyclo[76.2.2.221,24.238,41.261,64.12,6.15,8.19,13.114,17.116,20.142,46.145,48.149,53.154,57.156,60]octanonaconta-1(80),2(98),3,5,7,9(96),10,12,14,16,18,20(94),21(93),22,24(92),38(91),39,41(90),42(89),43,45,47,49,51,53(87),54,56,58,60(85),61,63,78,81,83-tetratriacontaene
• PubChem CID: 134961464
• Molecular Formula: C94H102N10O10
• Molecular Weight: 1531.91 g/mol
• Exact Mass: 1530.78
• IUPAC Name: 86,88,95,97-tetrabutyl-25,28,31,34,37,65,68,71,74,77-decaoxa-7,15,47,55,86,87,88,95,96,97-decazapentadecacyclo[76.2.2.221,24.238,41.261,64.12,6.15,8.19,13.114,17.116,20.142,46.145,48.149,53.154,57.156,60]octanonaconta-1(80),2(98),3,5,7,9(96),10,12,14,16,18,20(94),21(93),22,24(92),38(91),39,41(90),42(89),43,45,47,49,51,53(87),54,56,58,60(85),61,63,78,81,83-tetratriacontaene
• SMILES: CCCCn1c2nc3cc(ccc31)-c1ccc(cc1)OCCOCCOCCOCCOc1ccc(cc1)-c1ccc3c(c1)nc(n3CCCC)-c1cccc(n1)-c1nc3cc(ccc3n1CCCC)-c1ccc(cc1)OCCOCCOCCOCCOc1ccc(cc1)-c1ccc3c(c1)nc(n3CCCC)-c1cccc-2n1
• InChI: InChI=1S/C94H102N10O10/c1-5-9-43-101-87-39-27-71-63-83(87)97-91(101)79-15-13-16-80(95-79)92-98-84-64-72(28-40-88(84)102(92)44-10-6-2)68-21-33-76(34-22-68)112-60-56-108-53-49-106-50-54-110-58-62-114-78-37-25-70(26-38-78)74-30-42-90-86(66-74)100-94(104(90)46-12-8-4)82-18-14-17-81(96-82)93-99-85-65-73(29-41-89(85)103(93)45-11-7-3)69-23-35-77(36-24-69)113-61-57-109-52-48-105-47-51-107-55-59-111-75-31-19-67(71)20-32-75/h13-42,63-66H,5-12,43-62H2,1-4H3
• InChIKey: PFZKVFPRGBLTRP-UHFFFAOYSA-N
• XLogP: 19.74
• TPSA: 189.36 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1531.91
LogP ≤ 5	19.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 86,88,95,97-tetrabutyl-25,28,31,34,37,65,68,71,74,77-decaoxa-7,15,47,55,86,87,88,95,96,97-decazapentadecacyclo[76.2.2.221,24.238,41.261,64.12,6.15,8.19,13.114,17.116,20.142,46.145,48.149,53.154,57.156,60]octanonaconta-1(80),2(98),3,5,7,9(96),10,12,14,16,18,20(94),21(93),22,24(92),38(91),39,41(90),42(89),43,45,47,49,51,53(87),54,56,58,60(85),61,63,78,81,83-tetratriacontaene?

The IUPAC name of 86,88,95,97-tetrabutyl-25,28,31,34,37,65,68,71,74,77-decaoxa-7,15,47,55,86,87,88,95,96,97-decazapentadecacyclo[76.2.2.221,24.238,41.261,64.12,6.15,8.19,13.114,17.116,20.142,46.145,48.149,53.154,57.156,60]octanonaconta-1(80),2(98),3,5,7,9(96),10,12,14,16,18,20(94),21(93),22,24(92),38(91),39,41(90),42(89),43,45,47,49,51,53(87),54,56,58,60(85),61,63,78,81,83-tetratriacontaene (CID 134961464) is 86,88,95,97-tetrabutyl-25,28,31,34,37,65,68,71,74,77-decaoxa-7,15,47,55,86,87,88,95,96,97-decazapentadecacyclo[76.2.2.221,24.238,41.261,64.12,6.15,8.19,13.114,17.116,20.142,46.145,48.149,53.154,57.156,60]octanonaconta-1(80),2(98),3,5,7,9(96),10,12,14,16,18,20(94),21(93),22,24(92),38(91),39,41(90),42(89),43,45,47,49,51,53(87),54,56,58,60(85),61,63,78,81,83-tetratriacontaene.

What is the SMILES notation for 86,88,95,97-tetrabutyl-25,28,31,34,37,65,68,71,74,77-decaoxa-7,15,47,55,86,87,88,95,96,97-decazapentadecacyclo[76.2.2.221,24.238,41.261,64.12,6.15,8.19,13.114,17.116,20.142,46.145,48.149,53.154,57.156,60]octanonaconta-1(80),2(98),3,5,7,9(96),10,12,14,16,18,20(94),21(93),22,24(92),38(91),39,41(90),42(89),43,45,47,49,51,53(87),54,56,58,60(85),61,63,78,81,83-tetratriacontaene?

The canonical SMILES for 86,88,95,97-tetrabutyl-25,28,31,34,37,65,68,71,74,77-decaoxa-7,15,47,55,86,87,88,95,96,97-decazapentadecacyclo[76.2.2.221,24.238,41.261,64.12,6.15,8.19,13.114,17.116,20.142,46.145,48.149,53.154,57.156,60]octanonaconta-1(80),2(98),3,5,7,9(96),10,12,14,16,18,20(94),21(93),22,24(92),38(91),39,41(90),42(89),43,45,47,49,51,53(87),54,56,58,60(85),61,63,78,81,83-tetratriacontaene is CCCCn1c2nc3cc(ccc31)-c1ccc(cc1)OCCOCCOCCOCCOc1ccc(cc1)-c1ccc3c(c1)nc(n3CCCC)-c1cccc(n1)-c1nc3cc(ccc3n1CCCC)-c1ccc(cc1)OCCOCCOCCOCCOc1ccc(cc1)-c1ccc3c(c1)nc(n3CCCC)-c1cccc-2n1.

What is the InChIKey of 86,88,95,97-tetrabutyl-25,28,31,34,37,65,68,71,74,77-decaoxa-7,15,47,55,86,87,88,95,96,97-decazapentadecacyclo[76.2.2.221,24.238,41.261,64.12,6.15,8.19,13.114,17.116,20.142,46.145,48.149,53.154,57.156,60]octanonaconta-1(80),2(98),3,5,7,9(96),10,12,14,16,18,20(94),21(93),22,24(92),38(91),39,41(90),42(89),43,45,47,49,51,53(87),54,56,58,60(85),61,63,78,81,83-tetratriacontaene?

The InChIKey is PFZKVFPRGBLTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H102N10O10/c1-5-9-43-101-87-39-27-71-63-83(87)97-91(101)79-15-13-16-80(95-79)92-98-84-64-72(28-40-88(84)102(92)44-10-6-2)68-21-33-76(34-22-68)112-60-56-108-53-49-106-50-54-110-58-62-114-78-37-25-70(26-38-78)74-30-42-90-86(66-74)100-94(104(90)46-12-8-4)82-18-14-17-81(96-82)93-99-85-65-73(29-41-89(85)103(93)45-11-7-3)69-23-35-77(36-24-69)113-61-57-109-52-48-105-47-51-107-55-59-111-75-31-19-67(71)20-32-75/h13-42,63-66H,5-12,43-62H2,1-4H3.

What are the key properties of 86,88,95,97-tetrabutyl-25,28,31,34,37,65,68,71,74,77-decaoxa-7,15,47,55,86,87,88,95,96,97-decazapentadecacyclo[76.2.2.221,24.238,41.261,64.12,6.15,8.19,13.114,17.116,20.142,46.145,48.149,53.154,57.156,60]octanonaconta-1(80),2(98),3,5,7,9(96),10,12,14,16,18,20(94),21(93),22,24(92),38(91),39,41(90),42(89),43,45,47,49,51,53(87),54,56,58,60(85),61,63,78,81,83-tetratriacontaene?

86,88,95,97-tetrabutyl-25,28,31,34,37,65,68,71,74,77-decaoxa-7,15,47,55,86,87,88,95,96,97-decazapentadecacyclo[76.2.2.221,24.238,41.261,64.12,6.15,8.19,13.114,17.116,20.142,46.145,48.149,53.154,57.156,60]octanonaconta-1(80),2(98),3,5,7,9(96),10,12,14,16,18,20(94),21(93),22,24(92),38(91),39,41(90),42(89),43,45,47,49,51,53(87),54,56,58,60(85),61,63,78,81,83-tetratriacontaene has a molecular weight of 1531.91 g/mol, XLogP of 19.74, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 86,88,95,97-tetrabutyl-25,28,31,34,37,65,68,71,74,77-decaoxa-7,15,47,55,86,87,88,95,96,97-decazapentadecacyclo[76.2.2.221,24.238,41.261,64.12,6.15,8.19,13.114,17.116,20.142,46.145,48.149,53.154,57.156,60]octanonaconta-1(80),2(98),3,5,7,9(96),10,12,14,16,18,20(94),21(93),22,24(92),38(91),39,41(90),42(89),43,45,47,49,51,53(87),54,56,58,60(85),61,63,78,81,83-tetratriacontaene is sourced from PubChem (CID 134961464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).