10,10-dimethyl-14,21-dinaphthalen-2-yl-7-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pyren-4-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;7-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene

C181H116 — CID 159941923

About 10,10-dimethyl-14,21-dinaphthalen-2-yl-7-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pyren-4-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;7-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene

10,10-dimethyl-14,21-dinaphthalen-2-yl-7-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pyren-4-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;7-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene (PubChem CID 159941923) has the molecular formula C181H116 and a molecular weight of 2290.92 g/mol. Its IUPAC name is 10,10-dimethyl-14,21-dinaphthalen-2-yl-7-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pyren-4-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;7-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene.

Molecular Properties

• Compound Name: 10,10-dimethyl-14,21-dinaphthalen-2-yl-7-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pyren-4-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;7-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
• PubChem CID: 159941923
• Molecular Formula: C181H116
• Molecular Weight: 2290.92 g/mol
• Exact Mass: 2288.91
• IUPAC Name: 10,10-dimethyl-14,21-dinaphthalen-2-yl-7-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pyren-4-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;7-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
• SMILES: CC1(C)c2cc(-c3cc4cccc5ccc6cccc3c6c54)ccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3cc21.CC1(C)c2cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)ccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3cc21.CC1(C)c2cc(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)ccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3cc21
• InChI: InChI=1S/C63H40.2C59H38/c1-63(2)57-34-42(45-30-31-53-51-21-10-17-39-16-9-20-50(59(39)51)52-23-11-22-47(45)62(52)53)28-29-46(57)54-35-55-56(36-58(54)63)61(44-27-25-38-13-4-6-15-41(38)33-44)49-19-8-7-18-48(49)60(55)43-26-24-37-12-3-5-14-40(37)32-43;1-59(2)53-32-41(49-31-42-17-9-15-37-23-24-38-16-10-20-48(49)58(38)55(37)42)27-28-45(53)50-33-51-52(34-54(50)59)57(44-26-22-36-12-4-6-14-40(36)30-44)47-19-8-7-18-46(47)56(51)43-25-21-35-11-3-5-13-39(35)29-43;1-59(2)54-32-39(42-28-29-50-44-17-8-7-16-43(44)47-21-11-20-46(42)58(47)50)26-27-45(54)51-33-52-53(34-55(51)59)57(41-25-23-36-13-4-6-15-38(36)31-41)49-19-10-9-18-48(49)56(52)40-24-22-35-12-3-5-14-37(35)30-40/h3-36H,1-2H3;2*3-34H,1-2H3
• InChIKey: OAZJHCJQAVOKLX-UHFFFAOYSA-N
• XLogP: 50.57
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2290.92
LogP ≤ 5	50.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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 10,10-dimethyl-14,21-dinaphthalen-2-yl-7-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pyren-4-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;7-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene?

The IUPAC name of 10,10-dimethyl-14,21-dinaphthalen-2-yl-7-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pyren-4-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;7-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene (CID 159941923) is 10,10-dimethyl-14,21-dinaphthalen-2-yl-7-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pyren-4-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;7-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene.

What is the SMILES notation for 10,10-dimethyl-14,21-dinaphthalen-2-yl-7-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pyren-4-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;7-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene?

The canonical SMILES for 10,10-dimethyl-14,21-dinaphthalen-2-yl-7-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pyren-4-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;7-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene is CC1(C)c2cc(-c3cc4cccc5ccc6cccc3c6c54)ccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3cc21.CC1(C)c2cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)ccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3cc21.CC1(C)c2cc(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)ccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3cc21.

What is the InChIKey of 10,10-dimethyl-14,21-dinaphthalen-2-yl-7-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pyren-4-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;7-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene?

The InChIKey is OAZJHCJQAVOKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40.2C59H38/c1-63(2)57-34-42(45-30-31-53-51-21-10-17-39-16-9-20-50(59(39)51)52-23-11-22-47(45)62(52)53)28-29-46(57)54-35-55-56(36-58(54)63)61(44-27-25-38-13-4-6-15-41(38)33-44)49-19-8-7-18-48(49)60(55)43-26-24-37-12-3-5-14-40(37)32-43;1-59(2)53-32-41(49-31-42-17-9-15-37-23-24-38-16-10-20-48(49)58(38)55(37)42)27-28-45(53)50-33-51-52(34-54(50)59)57(44-26-22-36-12-4-6-14-40(36)30-44)47-19-8-7-18-46(47)56(51)43-25-21-35-11-3-5-13-39(35)29-43;1-59(2)54-32-39(42-28-29-50-44-17-8-7-16-43(44)47-21-11-20-46(42)58(47)50)26-27-45(54)51-33-52-53(34-55(51)59)57(41-25-23-36-13-4-6-15-38(36)31-41)49-19-10-9-18-48(49)56(52)40-24-22-35-12-3-5-14-37(35)30-40/h3-36H,1-2H3;2*3-34H,1-2H3.

What are the key properties of 10,10-dimethyl-14,21-dinaphthalen-2-yl-7-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pyren-4-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;7-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene?

10,10-dimethyl-14,21-dinaphthalen-2-yl-7-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pyren-4-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;7-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene has a molecular weight of 2290.92 g/mol, XLogP of 50.57, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-14,21-dinaphthalen-2-yl-7-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pyren-4-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;7-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene is sourced from PubChem (CID 159941923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).