14-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;15-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;28-[2-(10-phenylanthracen-9-yl)phenyl]-20,26-dioxa-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21(33),22,24,27(32),28,30-pentadecaene

C160H95B3O6 — CID 158305353

About 14-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;15-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;28-[2-(10-phenylanthracen-9-yl)phenyl]-20,26-dioxa-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21(33),22,24,27(32),28,30-pentadecaene

14-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;15-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;28-[2-(10-phenylanthracen-9-yl)phenyl]-20,26-dioxa-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21(33),22,24,27(32),28,30-pentadecaene (PubChem CID 158305353) has the molecular formula C160H95B3O6 and a molecular weight of 2145.95 g/mol. Its IUPAC name is 14-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;15-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;28-[2-(10-phenylanthracen-9-yl)phenyl]-20,26-dioxa-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21(33),22,24,27(32),28,30-pentadecaene.

Molecular Properties

• Compound Name: 14-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;15-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;28-[2-(10-phenylanthracen-9-yl)phenyl]-20,26-dioxa-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21(33),22,24,27(32),28,30-pentadecaene
• PubChem CID: 158305353
• Molecular Formula: C160H95B3O6
• Molecular Weight: 2145.95 g/mol
• Exact Mass: 2144.74
• IUPAC Name: 14-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;15-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;28-[2-(10-phenylanthracen-9-yl)phenyl]-20,26-dioxa-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21(33),22,24,27(32),28,30-pentadecaene
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccccc3-c3cc4c5c(c3)Oc3ccc6ccccc6c3B5c3c(ccc5ccccc35)O4)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3-c3ccc4c5c3Oc3ccc6ccccc6c3B5c3c(ccc5ccccc35)O4)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3-c3cccc4c3Oc3cccc5c3B4c3cc4c6ccccc6c6ccccc6c4cc3O5)c3ccccc23)cc1
• InChI: InChI=1S/C56H33BO2.2C52H31BO2/c1-2-16-34(17-3-1)53-41-24-10-12-26-43(41)54(44-27-13-11-25-42(44)53)40-23-9-8-22-39(40)45-28-14-29-48-56(45)59-51-31-15-30-50-55(51)57(48)49-32-46-37-20-6-4-18-35(37)36-19-5-7-21-38(36)47(46)33-52(49)58-50;1-2-16-34(17-3-1)48-40-22-10-12-24-42(40)49(43-25-13-11-23-41(43)48)39-21-9-8-18-36(39)35-30-46-52-47(31-35)55-45-29-27-33-15-5-7-20-38(33)51(45)53(52)50-37-19-6-4-14-32(37)26-28-44(50)54-46;1-2-16-34(17-3-1)47-39-22-10-12-24-41(39)48(42-25-13-11-23-40(42)47)38-21-9-8-20-37(38)43-28-31-46-51-52(43)55-45-30-27-33-15-5-7-19-36(33)50(45)53(51)49-35-18-6-4-14-32(35)26-29-44(49)54-46/h1-33H;2*1-31H
• InChIKey: GNABZZFSIZJLGP-UHFFFAOYSA-N
• XLogP: 37.24
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2145.95
LogP ≤ 5	37.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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 14-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;15-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;28-[2-(10-phenylanthracen-9-yl)phenyl]-20,26-dioxa-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21(33),22,24,27(32),28,30-pentadecaene?

The IUPAC name of 14-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;15-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;28-[2-(10-phenylanthracen-9-yl)phenyl]-20,26-dioxa-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21(33),22,24,27(32),28,30-pentadecaene (CID 158305353) is 14-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;15-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;28-[2-(10-phenylanthracen-9-yl)phenyl]-20,26-dioxa-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21(33),22,24,27(32),28,30-pentadecaene.

What is the SMILES notation for 14-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;15-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;28-[2-(10-phenylanthracen-9-yl)phenyl]-20,26-dioxa-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21(33),22,24,27(32),28,30-pentadecaene?

The canonical SMILES for 14-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;15-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;28-[2-(10-phenylanthracen-9-yl)phenyl]-20,26-dioxa-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21(33),22,24,27(32),28,30-pentadecaene is c1ccc(-c2c3ccccc3c(-c3ccccc3-c3cc4c5c(c3)Oc3ccc6ccccc6c3B5c3c(ccc5ccccc35)O4)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3-c3ccc4c5c3Oc3ccc6ccccc6c3B5c3c(ccc5ccccc35)O4)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3-c3cccc4c3Oc3cccc5c3B4c3cc4c6ccccc6c6ccccc6c4cc3O5)c3ccccc23)cc1.

What is the InChIKey of 14-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;15-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;28-[2-(10-phenylanthracen-9-yl)phenyl]-20,26-dioxa-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21(33),22,24,27(32),28,30-pentadecaene?

The InChIKey is GNABZZFSIZJLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33BO2.2C52H31BO2/c1-2-16-34(17-3-1)53-41-24-10-12-26-43(41)54(44-27-13-11-25-42(44)53)40-23-9-8-22-39(40)45-28-14-29-48-56(45)59-51-31-15-30-50-55(51)57(48)49-32-46-37-20-6-4-18-35(37)36-19-5-7-21-38(36)47(46)33-52(49)58-50;1-2-16-34(17-3-1)48-40-22-10-12-24-42(40)49(43-25-13-11-23-41(43)48)39-21-9-8-18-36(39)35-30-46-52-47(31-35)55-45-29-27-33-15-5-7-20-38(33)51(45)53(52)50-37-19-6-4-14-32(37)26-28-44(50)54-46;1-2-16-34(17-3-1)47-39-22-10-12-24-41(39)48(42-25-13-11-23-40(42)47)38-21-9-8-20-37(38)43-28-31-46-51-52(43)55-45-30-27-33-15-5-7-19-36(33)50(45)53(51)49-35-18-6-4-14-32(35)26-29-44(49)54-46/h1-33H;2*1-31H.

What are the key properties of 14-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;15-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;28-[2-(10-phenylanthracen-9-yl)phenyl]-20,26-dioxa-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21(33),22,24,27(32),28,30-pentadecaene?

14-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;15-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;28-[2-(10-phenylanthracen-9-yl)phenyl]-20,26-dioxa-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21(33),22,24,27(32),28,30-pentadecaene has a molecular weight of 2145.95 g/mol, XLogP of 37.24, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;15-[2-(10-phenylanthracen-9-yl)phenyl]-12,18-dioxa-1-boraheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13,15,17(29),19(28),20,22,24,26-tridecaene;28-[2-(10-phenylanthracen-9-yl)phenyl]-20,26-dioxa-1-boraoctacyclo[19.11.1.02,19.04,17.05,10.011,16.025,33.027,32]tritriaconta-2,4(17),5,7,9,11,13,15,18,21(33),22,24,27(32),28,30-pentadecaene is sourced from PubChem (CID 158305353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).