14-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-31-(4-phenylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4(16),5(13),6,8,10,14,19,21(33),22(30),23,25,27,31-pentadecaene

C54H32O4 — CID 142357689

About 14-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-31-(4-phenylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4(16),5(13),6,8,10,14,19,21(33),22(30),23,25,27,31-pentadecaene

14-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-31-(4-phenylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4(16),5(13),6,8,10,14,19,21(33),22(30),23,25,27,31-pentadecaene (PubChem CID 142357689) has the molecular formula C54H32O4 and a molecular weight of 744.85 g/mol. Its IUPAC name is 14-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-31-(4-phenylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4(16),5(13),6,8,10,14,19,21(33),22(30),23,25,27,31-pentadecaene.

Molecular Properties

• Compound Name: 14-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-31-(4-phenylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4(16),5(13),6,8,10,14,19,21(33),22(30),23,25,27,31-pentadecaene
• PubChem CID: 142357689
• Molecular Formula: C54H32O4
• Molecular Weight: 744.85 g/mol
• Exact Mass: 744.23
• IUPAC Name: 14-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-31-(4-phenylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4(16),5(13),6,8,10,14,19,21(33),22(30),23,25,27,31-pentadecaene
• SMILES: C=C/C=C(\C=C)c1ccc(-c2cc3oc4cc5c(cc4c3c3c2oc2ccccc23)oc2cc(-c3ccc(-c4ccccc4)cc3)c3oc4ccccc4c3c25)cc1
• InChI: InChI=1S/C54H32O4/c1-3-12-31(4-2)33-19-23-35(24-20-33)39-27-47-49(51-37-15-8-10-17-43(37)57-53(39)51)41-29-46-42(30-45(41)55-47)50-48(56-46)28-40(54-52(50)38-16-9-11-18-44(38)58-54)36-25-21-34(22-26-36)32-13-6-5-7-14-32/h3-30H,1-2H2/b31-12+
• InChIKey: ZOTXZMKXXYIAIN-KLPHOBTLSA-N
• XLogP: 16.04
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.85
LogP ≤ 5	16.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-31-(4-phenylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4(16),5(13),6,8,10,14,19,21(33),22(30),23,25,27,31-pentadecaene?

The IUPAC name of 14-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-31-(4-phenylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4(16),5(13),6,8,10,14,19,21(33),22(30),23,25,27,31-pentadecaene (CID 142357689) is 14-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-31-(4-phenylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4(16),5(13),6,8,10,14,19,21(33),22(30),23,25,27,31-pentadecaene.

What is the SMILES notation for 14-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-31-(4-phenylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4(16),5(13),6,8,10,14,19,21(33),22(30),23,25,27,31-pentadecaene?

The canonical SMILES for 14-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-31-(4-phenylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4(16),5(13),6,8,10,14,19,21(33),22(30),23,25,27,31-pentadecaene is C=C/C=C(\C=C)c1ccc(-c2cc3oc4cc5c(cc4c3c3c2oc2ccccc23)oc2cc(-c3ccc(-c4ccccc4)cc3)c3oc4ccccc4c3c25)cc1.

What is the InChIKey of 14-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-31-(4-phenylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4(16),5(13),6,8,10,14,19,21(33),22(30),23,25,27,31-pentadecaene?

The InChIKey is ZOTXZMKXXYIAIN-KLPHOBTLSA-N. The full InChI is InChI=1S/C54H32O4/c1-3-12-31(4-2)33-19-23-35(24-20-33)39-27-47-49(51-37-15-8-10-17-43(37)57-53(39)51)41-29-46-42(30-45(41)55-47)50-48(56-46)28-40(54-52(50)38-16-9-11-18-44(38)58-54)36-25-21-34(22-26-36)32-13-6-5-7-14-32/h3-30H,1-2H2/b31-12+.

What are the key properties of 14-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-31-(4-phenylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4(16),5(13),6,8,10,14,19,21(33),22(30),23,25,27,31-pentadecaene?

14-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-31-(4-phenylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4(16),5(13),6,8,10,14,19,21(33),22(30),23,25,27,31-pentadecaene has a molecular weight of 744.85 g/mol, XLogP of 16.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-31-(4-phenylphenyl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4(16),5(13),6,8,10,14,19,21(33),22(30),23,25,27,31-pentadecaene is sourced from PubChem (CID 142357689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).