19-[10-[5-[3-[7-[10-(5-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17(22),18,20-decaen-19-yl]phenyl]cyclohexa-1,3-dien-1-yl]anthracen-9-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene

C96H60O4 — CID 167022277

About 19-[10-[5-[3-[7-[10-(5-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17(22),18,20-decaen-19-yl]phenyl]cyclohexa-1,3-dien-1-yl]anthracen-9-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene

19-[10-[5-[3-[7-[10-(5-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17(22),18,20-decaen-19-yl]phenyl]cyclohexa-1,3-dien-1-yl]anthracen-9-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene (PubChem CID 167022277) has the molecular formula C96H60O4 and a molecular weight of 1277.53 g/mol. Its IUPAC name is 19-[10-[5-[3-[7-[10-(5-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17(22),18,20-decaen-19-yl]phenyl]cyclohexa-1,3-dien-1-yl]anthracen-9-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene.

Molecular Properties

• Compound Name: 19-[10-[5-[3-[7-[10-(5-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17(22),18,20-decaen-19-yl]phenyl]cyclohexa-1,3-dien-1-yl]anthracen-9-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene
• PubChem CID: 167022277
• Molecular Formula: C96H60O4
• Molecular Weight: 1277.53 g/mol
• Exact Mass: 1276.45
• IUPAC Name: 19-[10-[5-[3-[7-[10-(5-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17(22),18,20-decaen-19-yl]phenyl]cyclohexa-1,3-dien-1-yl]anthracen-9-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene
• SMILES: C1=CC(c2ccccc2)CC(c2c3ccccc3c(C3=CC=C4Oc5c(ccc6cc7oc8cc(-c9cccc(C%10C=CC=C(c%11c%12ccccc%12c(-c%12ccc%13oc%14c(ccc%15c%14ccc%14oc%16ccccc%16c%14%15)c%13c%12)c%12ccccc%11%12)C%10)c9)ccc8c7cc56)C4C3)c3ccccc23)=C1
• InChI: InChI=1S/C96H60O4/c1-2-17-55(18-3-1)56-19-15-23-62(48-56)90-67-25-4-8-29-71(67)92(72-30-9-5-26-68(72)90)64-38-45-86-81(50-64)77-40-36-61-53-89-83(54-80(61)96(77)100-86)66-39-35-60(52-88(66)98-89)58-21-14-20-57(47-58)59-22-16-24-63(49-59)91-69-27-6-10-31-73(69)93(74-32-11-7-28-70(74)91)65-37-44-85-82(51-65)78-42-41-75-76(95(78)99-85)43-46-87-94(75)79-33-12-13-34-84(79)97-87/h1-47,51-54,56,59,81H,48-50H2
• InChIKey: KPVZVWGDBCPYQQ-UHFFFAOYSA-N
• XLogP: 26.74
• TPSA: 48.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1277.53
LogP ≤ 5	26.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 19-[10-[5-[3-[7-[10-(5-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17(22),18,20-decaen-19-yl]phenyl]cyclohexa-1,3-dien-1-yl]anthracen-9-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene?

The IUPAC name of 19-[10-[5-[3-[7-[10-(5-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17(22),18,20-decaen-19-yl]phenyl]cyclohexa-1,3-dien-1-yl]anthracen-9-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene (CID 167022277) is 19-[10-[5-[3-[7-[10-(5-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17(22),18,20-decaen-19-yl]phenyl]cyclohexa-1,3-dien-1-yl]anthracen-9-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene.

What is the SMILES notation for 19-[10-[5-[3-[7-[10-(5-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17(22),18,20-decaen-19-yl]phenyl]cyclohexa-1,3-dien-1-yl]anthracen-9-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene?

The canonical SMILES for 19-[10-[5-[3-[7-[10-(5-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17(22),18,20-decaen-19-yl]phenyl]cyclohexa-1,3-dien-1-yl]anthracen-9-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene is C1=CC(c2ccccc2)CC(c2c3ccccc3c(C3=CC=C4Oc5c(ccc6cc7oc8cc(-c9cccc(C%10C=CC=C(c%11c%12ccccc%12c(-c%12ccc%13oc%14c(ccc%15c%14ccc%14oc%16ccccc%16c%14%15)c%13c%12)c%12ccccc%11%12)C%10)c9)ccc8c7cc56)C4C3)c3ccccc23)=C1.

What is the InChIKey of 19-[10-[5-[3-[7-[10-(5-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17(22),18,20-decaen-19-yl]phenyl]cyclohexa-1,3-dien-1-yl]anthracen-9-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene?

The InChIKey is KPVZVWGDBCPYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H60O4/c1-2-17-55(18-3-1)56-19-15-23-62(48-56)90-67-25-4-8-29-71(67)92(72-30-9-5-26-68(72)90)64-38-45-86-81(50-64)77-40-36-61-53-89-83(54-80(61)96(77)100-86)66-39-35-60(52-88(66)98-89)58-21-14-20-57(47-58)59-22-16-24-63(49-59)91-69-27-6-10-31-73(69)93(74-32-11-7-28-70(74)91)65-37-44-85-82(51-65)78-42-41-75-76(95(78)99-85)43-46-87-94(75)79-33-12-13-34-84(79)97-87/h1-47,51-54,56,59,81H,48-50H2.

What are the key properties of 19-[10-[5-[3-[7-[10-(5-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17(22),18,20-decaen-19-yl]phenyl]cyclohexa-1,3-dien-1-yl]anthracen-9-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene?

19-[10-[5-[3-[7-[10-(5-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17(22),18,20-decaen-19-yl]phenyl]cyclohexa-1,3-dien-1-yl]anthracen-9-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene has a molecular weight of 1277.53 g/mol, XLogP of 26.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 19-[10-[5-[3-[7-[10-(5-phenylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]-3,16-dioxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,11,13,15(23),17(22),18,20-decaen-19-yl]phenyl]cyclohexa-1,3-dien-1-yl]anthracen-9-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene is sourced from PubChem (CID 167022277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).