2-[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 146432700

About 2-[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

2-[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 146432700) has the molecular formula C80H61NO2 and a molecular weight of 1068.37 g/mol. Its IUPAC name is 2-[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: 2-[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: 146432700
• Molecular Formula: C80H61NO2
• Molecular Weight: 1068.37 g/mol
• Exact Mass: 1067.47
• IUPAC Name: 2-[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(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4oc5ccccc5c4c2-3)Cc2ccc3c(c2)C(C)(C)c2c4c(c5oc6ccccc6c5c2-3)-c2ccccc2C4(C)C)c(C)c1
• InChI: InChI=1S/C80H61NO2/c1-45-30-34-52(46(2)38-45)50(40-48-32-36-57-63(42-48)80(7,8)74-70(57)72-59-25-15-19-29-68(59)83-77(72)73-55-23-12-16-26-61(55)79(5,6)75(73)74)39-47-31-35-56-62(41-47)78(3,4)64-44-60(76-71(69(56)64)58-24-14-18-28-67(58)82-76)49-33-37-54-53-22-13-17-27-65(53)81(66(54)43-49)51-20-10-9-11-21-51/h9-39,41-44H,40H2,1-8H3/b50-39-
• InChIKey: PCCGAKBFVUKUID-NCWJXMJBSA-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 2-[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 2-[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 146432700) is 2-[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 2-[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 2-[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(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4oc5ccccc5c4c2-3)Cc2ccc3c(c2)C(C)(C)c2c4c(c5oc6ccccc6c5c2-3)-c2ccccc2C4(C)C)c(C)c1.

What is the InChIKey of 2-[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 PCCGAKBFVUKUID-NCWJXMJBSA-N. The full InChI is InChI=1S/C80H61NO2/c1-45-30-34-52(46(2)38-45)50(40-48-32-36-57-63(42-48)80(7,8)74-70(57)72-59-25-15-19-29-68(59)83-77(72)73-55-23-12-16-26-61(55)79(5,6)75(73)74)39-47-31-35-56-62(41-47)78(3,4)64-44-60(76-71(69(56)64)58-24-14-18-28-67(58)82-76)49-33-37-54-53-22-13-17-27-65(53)81(66(54)43-49)51-20-10-9-11-21-51/h9-39,41-44H,40H2,1-8H3/b50-39-.

What are the key properties of 2-[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?

2-[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 2-[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 146432700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).