21-[4-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

C220H148 — CID 160527860

About 21-[4-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

21-[4-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (PubChem CID 160527860) has the molecular formula C220H148 and a molecular weight of 2791.60 g/mol. Its IUPAC name is 21-[4-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 21-[4-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
• PubChem CID: 160527860
• Molecular Formula: C220H148
• Molecular Weight: 2791.60 g/mol
• Exact Mass: 2789.16
• IUPAC Name: 21-[4-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cccc(-c5cc6c7ccccc7c7ccccc7c6c6ccccc56)c4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc(-c6cc7c8ccccc8c8ccccc8c7c7ccccc67)c6ccccc56)ccc4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc6cc(-c7cc8c9ccccc9c9ccccc9c8c8ccccc78)ccc6c5)ccc4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc(-c5cccc(-c6cc7c8ccccc8c8ccccc8c7c7ccccc67)c5)cc4c3)cc21
• InChI: InChI=1S/2C57H38.2C53H36/c1-57(2)54-18-10-9-15-48(54)49-28-27-42(33-55(49)57)40-23-21-36-29-35(19-20-38(36)31-40)37-22-24-41-32-43(26-25-39(41)30-37)52-34-53-46-13-4-3-11-44(46)45-12-5-7-16-50(45)56(53)51-17-8-6-14-47(51)52;1-57(2)54-22-12-11-19-48(54)49-28-27-38(33-55(49)57)36-23-24-37-32-39(26-25-35(37)31-36)40-29-30-47(42-14-4-3-13-41(40)42)52-34-53-45-17-6-5-15-43(45)44-16-7-9-20-50(44)56(53)51-21-10-8-18-46(51)52;1-53(2)50-21-10-9-18-44(50)45-27-26-37(31-51(45)53)36-25-23-33-22-24-35(29-39(33)30-36)34-12-11-13-38(28-34)48-32-49-42-16-4-3-14-40(42)41-15-5-7-19-46(41)52(49)47-20-8-6-17-43(47)48;1-53(2)50-25-12-11-22-44(50)45-27-26-35(31-51(45)53)37-29-28-36(38-16-3-4-17-39(37)38)33-14-13-15-34(30-33)48-32-49-42-20-6-5-18-40(42)41-19-7-9-23-46(41)52(49)47-24-10-8-21-43(47)48/h2*3-34H,1-2H3;2*3-32H,1-2H3
• InChIKey: QVDKUIHWRRWIDJ-UHFFFAOYSA-N
• XLogP: 61.35
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2791.60
LogP ≤ 5	61.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 21-[4-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?

The IUPAC name of 21-[4-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (CID 160527860) is 21-[4-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.

What is the SMILES notation for 21-[4-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?

The canonical SMILES for 21-[4-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cccc(-c5cc6c7ccccc7c7ccccc7c6c6ccccc56)c4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc(-c6cc7c8ccccc8c8ccccc8c7c7ccccc67)c6ccccc56)ccc4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc6cc(-c7cc8c9ccccc9c9ccccc9c8c8ccccc78)ccc6c5)ccc4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc(-c5cccc(-c6cc7c8ccccc8c8ccccc8c7c7ccccc67)c5)cc4c3)cc21.

What is the InChIKey of 21-[4-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?

The InChIKey is QVDKUIHWRRWIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H38.2C53H36/c1-57(2)54-18-10-9-15-48(54)49-28-27-42(33-55(49)57)40-23-21-36-29-35(19-20-38(36)31-40)37-22-24-41-32-43(26-25-39(41)30-37)52-34-53-46-13-4-3-11-44(46)45-12-5-7-16-50(45)56(53)51-17-8-6-14-47(51)52;1-57(2)54-22-12-11-19-48(54)49-28-27-38(33-55(49)57)36-23-24-37-32-39(26-25-35(37)31-36)40-29-30-47(42-14-4-3-13-41(40)42)52-34-53-45-17-6-5-15-43(45)44-16-7-9-20-50(44)56(53)51-21-10-8-18-46(51)52;1-53(2)50-21-10-9-18-44(50)45-27-26-37(31-51(45)53)36-25-23-33-22-24-35(29-39(33)30-36)34-12-11-13-38(28-34)48-32-49-42-16-4-3-14-40(42)41-15-5-7-19-46(41)52(49)47-20-8-6-17-43(47)48;1-53(2)50-25-12-11-22-44(50)45-27-26-35(31-51(45)53)37-29-28-36(38-16-3-4-17-39(37)38)33-14-13-15-34(30-33)48-32-49-42-20-6-5-18-40(42)41-19-7-9-23-46(41)52(49)47-24-10-8-21-43(47)48/h2*3-34H,1-2H3;2*3-32H,1-2H3.

What are the key properties of 21-[4-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?

21-[4-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene has a molecular weight of 2791.60 g/mol, XLogP of 61.35, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 21-[4-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-1-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is sourced from PubChem (CID 160527860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).