31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(phenylmethoxy)-5,10,20,25-tetrakis(phenylmethoxymethyl)-15,30-bis(prop-2-enyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane

C152H160O28 — CID 177416908

About 31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(phenylmethoxy)-5,10,20,25-tetrakis(phenylmethoxymethyl)-15,30-bis(prop-2-enyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane

31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(phenylmethoxy)-5,10,20,25-tetrakis(phenylmethoxymethyl)-15,30-bis(prop-2-enyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane (PubChem CID 177416908) has the molecular formula C152H160O28 and a molecular weight of 2434.92 g/mol. Its IUPAC name is 31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(phenylmethoxy)-5,10,20,25-tetrakis(phenylmethoxymethyl)-15,30-bis(prop-2-enyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane.

Molecular Properties

• Compound Name: 31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(phenylmethoxy)-5,10,20,25-tetrakis(phenylmethoxymethyl)-15,30-bis(prop-2-enyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane
• PubChem CID: 177416908
• Molecular Formula: C152H160O28
• Molecular Weight: 2434.92 g/mol
• Exact Mass: 2433.11
• IUPAC Name: 31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(phenylmethoxy)-5,10,20,25-tetrakis(phenylmethoxymethyl)-15,30-bis(prop-2-enyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane
• SMILES: C=CCC1OC2OC3C(COCc4ccccc4)OC(OC4C(COCc5ccccc5)OC(OC5C(CC=C)OC(OC6C(COCc7ccccc7)OC(OC7C(COCc8ccccc8)OC(OC1C(OCc1ccccc1)C2OCc1ccccc1)C(OCc1ccccc1)C7OCc1ccccc1)C(OCc1ccccc1)C6OCc1ccccc1)C(OCc1ccccc1)C5OCc1ccccc1)C(OCc1ccccc1)C4OCc1ccccc1)C(OCc1ccccc1)C3OCc1ccccc1
• InChI: InChI=1S/C152H160O28/c1-3-53-123-129-135(157-91-111-63-29-9-30-64-111)141(163-97-117-75-41-15-42-76-117)147(169-123)177-131-125(103-153-87-107-55-21-5-22-56-107)173-151(145(167-101-121-83-49-19-50-84-121)137(131)159-93-113-67-33-11-34-68-113)180-134-128(106-156-90-110-61-27-8-28-62-110)172-150(144(166-100-120-81-47-18-48-82-120)140(134)162-96-116-73-39-14-40-74-116)176-130-124(54-4-2)170-148(142(164-98-118-77-43-16-44-78-118)136(130)158-92-112-65-31-10-32-66-112)178-132-126(104-154-88-108-57-23-6-24-58-108)174-152(146(168-102-122-85-51-20-52-86-122)138(132)160-94-114-69-35-12-36-70-114)179-133-127(105-155-89-109-59-25-7-26-60-109)171-149(175-129)143(165-99-119-79-45-17-46-80-119)139(133)161-95-115-71-37-13-38-72-115/h3-52,55-86,123-152H,1-2,53-54,87-106H2
• InChIKey: LJDCMQKFUAWXAQ-UHFFFAOYSA-N
• XLogP: 25.70
• TPSA: 258.44 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 56
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2434.92
LogP ≤ 5	25.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(phenylmethoxy)-5,10,20,25-tetrakis(phenylmethoxymethyl)-15,30-bis(prop-2-enyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane?

The IUPAC name of 31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(phenylmethoxy)-5,10,20,25-tetrakis(phenylmethoxymethyl)-15,30-bis(prop-2-enyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane (CID 177416908) is 31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(phenylmethoxy)-5,10,20,25-tetrakis(phenylmethoxymethyl)-15,30-bis(prop-2-enyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane.

What is the SMILES notation for 31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(phenylmethoxy)-5,10,20,25-tetrakis(phenylmethoxymethyl)-15,30-bis(prop-2-enyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane?

The canonical SMILES for 31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(phenylmethoxy)-5,10,20,25-tetrakis(phenylmethoxymethyl)-15,30-bis(prop-2-enyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane is C=CCC1OC2OC3C(COCc4ccccc4)OC(OC4C(COCc5ccccc5)OC(OC5C(CC=C)OC(OC6C(COCc7ccccc7)OC(OC7C(COCc8ccccc8)OC(OC1C(OCc1ccccc1)C2OCc1ccccc1)C(OCc1ccccc1)C7OCc1ccccc1)C(OCc1ccccc1)C6OCc1ccccc1)C(OCc1ccccc1)C5OCc1ccccc1)C(OCc1ccccc1)C4OCc1ccccc1)C(OCc1ccccc1)C3OCc1ccccc1.

What is the InChIKey of 31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(phenylmethoxy)-5,10,20,25-tetrakis(phenylmethoxymethyl)-15,30-bis(prop-2-enyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane?

The InChIKey is LJDCMQKFUAWXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C152H160O28/c1-3-53-123-129-135(157-91-111-63-29-9-30-64-111)141(163-97-117-75-41-15-42-76-117)147(169-123)177-131-125(103-153-87-107-55-21-5-22-56-107)173-151(145(167-101-121-83-49-19-50-84-121)137(131)159-93-113-67-33-11-34-68-113)180-134-128(106-156-90-110-61-27-8-28-62-110)172-150(144(166-100-120-81-47-18-48-82-120)140(134)162-96-116-73-39-14-40-74-116)176-130-124(54-4-2)170-148(142(164-98-118-77-43-16-44-78-118)136(130)158-92-112-65-31-10-32-66-112)178-132-126(104-154-88-108-57-23-6-24-58-108)174-152(146(168-102-122-85-51-20-52-86-122)138(132)160-94-114-69-35-12-36-70-114)179-133-127(105-155-89-109-59-25-7-26-60-109)171-149(175-129)143(165-99-119-79-45-17-46-80-119)139(133)161-95-115-71-37-13-38-72-115/h3-52,55-86,123-152H,1-2,53-54,87-106H2.

What are the key properties of 31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(phenylmethoxy)-5,10,20,25-tetrakis(phenylmethoxymethyl)-15,30-bis(prop-2-enyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane?

31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(phenylmethoxy)-5,10,20,25-tetrakis(phenylmethoxymethyl)-15,30-bis(prop-2-enyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane has a molecular weight of 2434.92 g/mol, XLogP of 25.70, 56 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(phenylmethoxy)-5,10,20,25-tetrakis(phenylmethoxymethyl)-15,30-bis(prop-2-enyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane is sourced from PubChem (CID 177416908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).