9-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-16-oxaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9(14),10,12,18,20,22,24,26,28-tetradecaene

C229H146O4 — CID 158339037

About 9-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-16-oxaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9(14),10,12,18,20,22,24,26,28-tetradecaene

9-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-16-oxaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9(14),10,12,18,20,22,24,26,28-tetradecaene (PubChem CID 158339037) has the molecular formula C229H146O4 and a molecular weight of 2961.68 g/mol. Its IUPAC name is 9-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-16-oxaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9(14),10,12,18,20,22,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 9-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-16-oxaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9(14),10,12,18,20,22,24,26,28-tetradecaene
• PubChem CID: 158339037
• Molecular Formula: C229H146O4
• Molecular Weight: 2961.68 g/mol
• Exact Mass: 2959.12
• IUPAC Name: 9-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-16-oxaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9(14),10,12,18,20,22,24,26,28-tetradecaene
• SMILES: CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5cc6oc7c8ccccc8ccc7c6c6ccccc56)cc4)c4ccccc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5cc6oc7cc8ccccc8cc7c6c6ccccc56)cc4)c4ccccc34)ccc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc6oc7ccc8ccccc8c7c6c6ccccc56)cc4)c4ccccc34)cc21.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6c7ccccc7c7c(oc8c9ccccc9c9ccccc9c87)c6c5)c4)c4ccccc34)c3ccccc23)cc1
• InChI: InChI=1S/C64H38O.3C55H36O/c1-2-17-39(18-3-1)43-35-36-56(45-22-5-4-21-44(43)45)60-54-30-13-11-28-52(54)59(53-29-12-14-31-55(53)60)42-20-16-19-40(37-42)41-33-34-49-47-24-7-10-27-51(47)62-61-50-26-9-6-23-46(50)48-25-8-15-32-57(48)63(61)65-64(62)58(49)38-41;1-55(2)47-22-12-11-16-39(47)40-29-27-36(31-48(40)55)52-44-20-9-7-18-42(44)51(43-19-8-10-21-45(43)52)35-25-23-34(24-26-35)46-32-50-54(41-17-6-5-15-38(41)46)53-37-14-4-3-13-33(37)28-30-49(53)56-50;1-55(2)48-22-12-11-16-39(48)47-31-36(28-30-49(47)55)52-43-20-9-7-18-41(43)51(42-19-8-10-21-44(42)52)35-25-23-34(24-26-35)46-32-50-53(40-17-6-5-15-38(40)46)45-29-27-33-13-3-4-14-37(33)54(45)56-50;1-55(2)48-22-12-11-16-39(48)46-30-37(27-28-49(46)55)53-43-20-9-7-18-41(43)52(42-19-8-10-21-44(42)53)34-25-23-33(24-26-34)45-32-51-54(40-17-6-5-15-38(40)45)47-29-35-13-3-4-14-36(35)31-50(47)56-51/h1-38H;3*3-32H,1-2H3
• InChIKey: GQXZCIOHQBUPSM-UHFFFAOYSA-N
• XLogP: 64.84
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2961.68
LogP ≤ 5	64.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-16-oxaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9(14),10,12,18,20,22,24,26,28-tetradecaene?

The IUPAC name of 9-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-16-oxaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9(14),10,12,18,20,22,24,26,28-tetradecaene (CID 158339037) is 9-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-16-oxaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9(14),10,12,18,20,22,24,26,28-tetradecaene.

What is the SMILES notation for 9-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-16-oxaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9(14),10,12,18,20,22,24,26,28-tetradecaene?

The canonical SMILES for 9-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-16-oxaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9(14),10,12,18,20,22,24,26,28-tetradecaene is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5cc6oc7c8ccccc8ccc7c6c6ccccc56)cc4)c4ccccc34)ccc21.CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5cc6oc7cc8ccccc8cc7c6c6ccccc56)cc4)c4ccccc34)ccc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc6oc7ccc8ccccc8c7c6c6ccccc56)cc4)c4ccccc34)cc21.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6c7ccccc7c7c(oc8c9ccccc9c9ccccc9c87)c6c5)c4)c4ccccc34)c3ccccc23)cc1.

What is the InChIKey of 9-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-16-oxaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9(14),10,12,18,20,22,24,26,28-tetradecaene?

The InChIKey is GQXZCIOHQBUPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38O.3C55H36O/c1-2-17-39(18-3-1)43-35-36-56(45-22-5-4-21-44(43)45)60-54-30-13-11-28-52(54)59(53-29-12-14-31-55(53)60)42-20-16-19-40(37-42)41-33-34-49-47-24-7-10-27-51(47)62-61-50-26-9-6-23-46(50)48-25-8-15-32-57(48)63(61)65-64(62)58(49)38-41;1-55(2)47-22-12-11-16-39(47)40-29-27-36(31-48(40)55)52-44-20-9-7-18-42(44)51(43-19-8-10-21-45(43)52)35-25-23-34(24-26-35)46-32-50-54(41-17-6-5-15-38(41)46)53-37-14-4-3-13-33(37)28-30-49(53)56-50;1-55(2)48-22-12-11-16-39(48)47-31-36(28-30-49(47)55)52-43-20-9-7-18-41(43)51(42-19-8-10-21-44(42)52)35-25-23-34(24-26-35)46-32-50-53(40-17-6-5-15-38(40)46)45-29-27-33-13-3-4-14-37(33)54(45)56-50;1-55(2)48-22-12-11-16-39(48)46-30-37(27-28-49(46)55)53-43-20-9-7-18-41(43)52(42-19-8-10-21-44(42)53)34-25-23-33(24-26-34)45-32-51-54(40-17-6-5-15-38(40)45)47-29-35-13-3-4-14-36(35)31-50(47)56-51/h1-38H;3*3-32H,1-2H3.

What are the key properties of 9-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-16-oxaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9(14),10,12,18,20,22,24,26,28-tetradecaene?

9-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-16-oxaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9(14),10,12,18,20,22,24,26,28-tetradecaene has a molecular weight of 2961.68 g/mol, XLogP of 64.84, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-16-oxaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9(14),10,12,18,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 158339037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).