4-[17-[(Z)-2-(2,4-dimethylphenyl)-3-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)prop-1-enyl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-9-phenylcarbazole

C80H61NO2 — CID 146432710

About 4-[17-[(Z)-2-(2,4-dimethylphenyl)-3-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)prop-1-enyl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-9-phenylcarbazole

4-[17-[(Z)-2-(2,4-dimethylphenyl)-3-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)prop-1-enyl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-9-phenylcarbazole (PubChem CID 146432710) has the molecular formula C80H61NO2 and a molecular weight of 1068.37 g/mol. Its IUPAC name is 4-[17-[(Z)-2-(2,4-dimethylphenyl)-3-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)prop-1-enyl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 4-[17-[(Z)-2-(2,4-dimethylphenyl)-3-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)prop-1-enyl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-9-phenylcarbazole
• PubChem CID: 146432710
• Molecular Formula: C80H61NO2
• Molecular Weight: 1068.37 g/mol
• Exact Mass: 1067.47
• IUPAC Name: 4-[17-[(Z)-2-(2,4-dimethylphenyl)-3-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)prop-1-enyl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-9-phenylcarbazole
• SMILES: Cc1ccc(/C(=C\c2ccc3c(c2)C(C)(C)c2cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c4oc5ccccc5c4c2-3)Cc2ccc3c(c2)C(C)(C)c2c4c(c5oc6ccccc6c5c2-3)-c2ccccc2C4(C)C)c(C)c1
• InChI: InChI=1S/C80H61NO2/c1-45-33-36-51(46(2)39-45)49(41-48-35-38-55-62(43-48)80(7,8)74-70(55)72-58-26-15-19-32-67(58)83-77(72)73-53-23-12-16-28-60(53)79(5,6)75(73)74)40-47-34-37-54-61(42-47)78(3,4)63-44-59(76-71(69(54)63)57-25-14-18-31-66(57)82-76)52-27-20-30-65-68(52)56-24-13-17-29-64(56)81(65)50-21-10-9-11-22-50/h9-40,42-44H,41H2,1-8H3/b49-40-
• InChIKey: HWVHBXYLIUAXDG-DNUFVLOFSA-N
• XLogP: 21.57
• TPSA: 31.21 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1068.37
LogP ≤ 5	21.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[17-[(Z)-2-(2,4-dimethylphenyl)-3-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)prop-1-enyl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-9-phenylcarbazole?

The IUPAC name of 4-[17-[(Z)-2-(2,4-dimethylphenyl)-3-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)prop-1-enyl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-9-phenylcarbazole (CID 146432710) is 4-[17-[(Z)-2-(2,4-dimethylphenyl)-3-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)prop-1-enyl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-9-phenylcarbazole.

What is the SMILES notation for 4-[17-[(Z)-2-(2,4-dimethylphenyl)-3-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)prop-1-enyl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-9-phenylcarbazole?

The canonical SMILES for 4-[17-[(Z)-2-(2,4-dimethylphenyl)-3-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)prop-1-enyl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-9-phenylcarbazole is Cc1ccc(/C(=C\c2ccc3c(c2)C(C)(C)c2cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c4oc5ccccc5c4c2-3)Cc2ccc3c(c2)C(C)(C)c2c4c(c5oc6ccccc6c5c2-3)-c2ccccc2C4(C)C)c(C)c1.

What is the InChIKey of 4-[17-[(Z)-2-(2,4-dimethylphenyl)-3-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)prop-1-enyl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-9-phenylcarbazole?

The InChIKey is HWVHBXYLIUAXDG-DNUFVLOFSA-N. The full InChI is InChI=1S/C80H61NO2/c1-45-33-36-51(46(2)39-45)49(41-48-35-38-55-62(43-48)80(7,8)74-70(55)72-58-26-15-19-32-67(58)83-77(72)73-53-23-12-16-28-60(53)79(5,6)75(73)74)40-47-34-37-54-61(42-47)78(3,4)63-44-59(76-71(69(54)63)57-25-14-18-31-66(57)82-76)52-27-20-30-65-68(52)56-24-13-17-29-64(56)81(65)50-21-10-9-11-22-50/h9-40,42-44H,41H2,1-8H3/b49-40-.

What are the key properties of 4-[17-[(Z)-2-(2,4-dimethylphenyl)-3-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)prop-1-enyl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-9-phenylcarbazole?

4-[17-[(Z)-2-(2,4-dimethylphenyl)-3-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)prop-1-enyl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-9-phenylcarbazole has a molecular weight of 1068.37 g/mol, XLogP of 21.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[17-[(Z)-2-(2,4-dimethylphenyl)-3-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)prop-1-enyl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-11-yl]-9-phenylcarbazole is sourced from PubChem (CID 146432710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).