9-anthracen-9-yl-3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene;7-(7,7-dimethylbenzo[c]fluoren-4-yl)-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;8-[10-(3-phenylphenyl)anthracen-9-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26,28-tetradecaene

C143H86O3 — CID 159557178

About 9-anthracen-9-yl-3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene;7-(7,7-dimethylbenzo[c]fluoren-4-yl)-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;8-[10-(3-phenylphenyl)anthracen-9-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26,28-tetradecaene

9-anthracen-9-yl-3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene;7-(7,7-dimethylbenzo[c]fluoren-4-yl)-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;8-[10-(3-phenylphenyl)anthracen-9-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26,28-tetradecaene (PubChem CID 159557178) has the molecular formula C143H86O3 and a molecular weight of 1852.26 g/mol. Its IUPAC name is 9-anthracen-9-yl-3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene;7-(7,7-dimethylbenzo[c]fluoren-4-yl)-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;8-[10-(3-phenylphenyl)anthracen-9-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 9-anthracen-9-yl-3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene;7-(7,7-dimethylbenzo[c]fluoren-4-yl)-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;8-[10-(3-phenylphenyl)anthracen-9-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26,28-tetradecaene
• PubChem CID: 159557178
• Molecular Formula: C143H86O3
• Molecular Weight: 1852.26 g/mol
• Exact Mass: 1850.66
• IUPAC Name: 9-anthracen-9-yl-3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene;7-(7,7-dimethylbenzo[c]fluoren-4-yl)-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;8-[10-(3-phenylphenyl)anthracen-9-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26,28-tetradecaene
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c(-c3ccc4cc5oc6ccc7c8ccccc8c8ccccc8c7c6c5cc4c3)cccc21.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5cc6oc7cc8c9ccccc9c9ccccc9c8cc7c6cc5c4)c4ccccc34)c2)cc1.c1ccc2c(-c3ccc4cc5oc6c(ccc7c8ccccc8c8ccccc8c76)c5cc4c3)c3ccccc3cc2c1
• InChI: InChI=1S/C54H32O.C47H30O.C42H24O/c1-2-13-33(14-3-1)34-15-12-16-36(27-34)53-43-21-8-10-23-45(43)54(46-24-11-9-22-44(46)53)37-26-25-35-30-51-49(29-38(35)28-37)50-31-47-41-19-6-4-17-39(41)40-18-5-7-20-42(40)48(47)32-52(50)55-51;1-47(2)40-17-8-7-14-38(40)44-35-16-9-15-30(34(35)20-22-41(44)47)28-19-18-27-26-43-39(25-29(27)24-28)46-42(48-43)23-21-37-33-12-4-3-10-31(33)32-11-5-6-13-36(32)45(37)46;1-3-11-30-26(9-1)21-27-10-2-4-12-31(27)40(30)28-18-17-25-24-39-38(23-29(25)22-28)37-20-19-36-34-15-6-5-13-32(34)33-14-7-8-16-35(33)41(36)42(37)43-39/h1-32H;3-26H,1-2H3;1-24H
• InChIKey: MGDIRIREQQZZAF-UHFFFAOYSA-N
• XLogP: 41.00
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1852.26
LogP ≤ 5	41.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-anthracen-9-yl-3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene;7-(7,7-dimethylbenzo[c]fluoren-4-yl)-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;8-[10-(3-phenylphenyl)anthracen-9-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26,28-tetradecaene?

The IUPAC name of 9-anthracen-9-yl-3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene;7-(7,7-dimethylbenzo[c]fluoren-4-yl)-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;8-[10-(3-phenylphenyl)anthracen-9-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26,28-tetradecaene (CID 159557178) is 9-anthracen-9-yl-3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene;7-(7,7-dimethylbenzo[c]fluoren-4-yl)-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;8-[10-(3-phenylphenyl)anthracen-9-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26,28-tetradecaene.

What is the SMILES notation for 9-anthracen-9-yl-3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene;7-(7,7-dimethylbenzo[c]fluoren-4-yl)-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;8-[10-(3-phenylphenyl)anthracen-9-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26,28-tetradecaene?

The canonical SMILES for 9-anthracen-9-yl-3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene;7-(7,7-dimethylbenzo[c]fluoren-4-yl)-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;8-[10-(3-phenylphenyl)anthracen-9-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26,28-tetradecaene is CC1(C)c2ccccc2-c2c1ccc1c(-c3ccc4cc5oc6ccc7c8ccccc8c8ccccc8c7c6c5cc4c3)cccc21.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5cc6oc7cc8c9ccccc9c9ccccc9c8cc7c6cc5c4)c4ccccc34)c2)cc1.c1ccc2c(-c3ccc4cc5oc6c(ccc7c8ccccc8c8ccccc8c76)c5cc4c3)c3ccccc3cc2c1.

What is the InChIKey of 9-anthracen-9-yl-3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene;7-(7,7-dimethylbenzo[c]fluoren-4-yl)-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;8-[10-(3-phenylphenyl)anthracen-9-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26,28-tetradecaene?

The InChIKey is MGDIRIREQQZZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32O.C47H30O.C42H24O/c1-2-13-33(14-3-1)34-15-12-16-36(27-34)53-43-21-8-10-23-45(43)54(46-24-11-9-22-44(46)53)37-26-25-35-30-51-49(29-38(35)28-37)50-31-47-41-19-6-4-17-39(41)40-18-5-7-20-42(40)48(47)32-52(50)55-51;1-47(2)40-17-8-7-14-38(40)44-35-16-9-15-30(34(35)20-22-41(44)47)28-19-18-27-26-43-39(25-29(27)24-28)46-42(48-43)23-21-37-33-12-4-3-10-31(33)32-11-5-6-13-36(32)45(37)46;1-3-11-30-26(9-1)21-27-10-2-4-12-31(27)40(30)28-18-17-25-24-39-38(23-29(25)22-28)37-20-19-36-34-15-6-5-13-32(34)33-14-7-8-16-35(33)41(36)42(37)43-39/h1-32H;3-26H,1-2H3;1-24H.

What are the key properties of 9-anthracen-9-yl-3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene;7-(7,7-dimethylbenzo[c]fluoren-4-yl)-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;8-[10-(3-phenylphenyl)anthracen-9-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26,28-tetradecaene?

9-anthracen-9-yl-3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene;7-(7,7-dimethylbenzo[c]fluoren-4-yl)-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;8-[10-(3-phenylphenyl)anthracen-9-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26,28-tetradecaene has a molecular weight of 1852.26 g/mol, XLogP of 41.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-anthracen-9-yl-3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene;7-(7,7-dimethylbenzo[c]fluoren-4-yl)-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;8-[10-(3-phenylphenyl)anthracen-9-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 159557178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).