14,21-di(fluoranthen-3-yl)-10,10-dimethyl-17-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[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-7,14,21-trinaphthalen-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

C195H124 — CID 158473087

About 14,21-di(fluoranthen-3-yl)-10,10-dimethyl-17-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[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-7,14,21-trinaphthalen-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

14,21-di(fluoranthen-3-yl)-10,10-dimethyl-17-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[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-7,14,21-trinaphthalen-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 158473087) has the molecular formula C195H124 and a molecular weight of 2467.14 g/mol. Its IUPAC name is 14,21-di(fluoranthen-3-yl)-10,10-dimethyl-17-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[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-7,14,21-trinaphthalen-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: 14,21-di(fluoranthen-3-yl)-10,10-dimethyl-17-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[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-7,14,21-trinaphthalen-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: 158473087
• Molecular Formula: C195H124
• Molecular Weight: 2467.14 g/mol
• Exact Mass: 2464.97
• IUPAC Name: 14,21-di(fluoranthen-3-yl)-10,10-dimethyl-17-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[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-7,14,21-trinaphthalen-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(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3cc21.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3cc21.CC1(C)c2ccccc2-c2cc3c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccc(-c5ccc6c7cccc8cccc(c9cccc5c96)c87)cc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3cc21
• InChI: InChI=1S/C75H44.C67H44.C53H36/c1-75(2)67-29-8-7-20-48(67)63-39-65-66(40-68(63)75)74(61-37-35-58-47-19-6-4-17-45(47)51-25-13-28-56(61)72(51)58)64-38-42(43-32-33-59-53-22-10-15-41-14-9-21-52(69(41)53)54-26-11-23-49(43)70(54)59)30-31-62(64)73(65)60-36-34-57-46-18-5-3-16-44(46)50-24-12-27-55(60)71(50)57;1-67(2)61-38-50(64-54-23-11-9-21-52(54)63(53-22-10-12-24-55(53)64)47-30-27-41-15-3-6-18-44(41)35-47)33-34-51(61)58-39-59-60(40-62(58)67)66(49-32-29-43-17-5-8-20-46(43)37-49)57-26-14-13-25-56(57)65(59)48-31-28-42-16-4-7-19-45(42)36-48;1-53(2)49-30-40(39-22-19-33-11-3-6-14-36(33)27-39)25-26-43(49)46-31-47-48(32-50(46)53)52(42-24-21-35-13-5-8-16-38(35)29-42)45-18-10-9-17-44(45)51(47)41-23-20-34-12-4-7-15-37(34)28-41/h3-40H,1-2H3;3-40H,1-2H3;3-32H,1-2H3
• InChIKey: HGOYQHKEBQMQNH-UHFFFAOYSA-N
• XLogP: 54.45
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2467.14
LogP ≤ 5	54.45
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 14,21-di(fluoranthen-3-yl)-10,10-dimethyl-17-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[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-7,14,21-trinaphthalen-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 14,21-di(fluoranthen-3-yl)-10,10-dimethyl-17-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[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-7,14,21-trinaphthalen-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 158473087) is 14,21-di(fluoranthen-3-yl)-10,10-dimethyl-17-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[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-7,14,21-trinaphthalen-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 14,21-di(fluoranthen-3-yl)-10,10-dimethyl-17-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[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-7,14,21-trinaphthalen-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 14,21-di(fluoranthen-3-yl)-10,10-dimethyl-17-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[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-7,14,21-trinaphthalen-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(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3cc21.CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3cc21.CC1(C)c2ccccc2-c2cc3c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccc(-c5ccc6c7cccc8cccc(c9cccc5c96)c87)cc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3cc21.

What is the InChIKey of 14,21-di(fluoranthen-3-yl)-10,10-dimethyl-17-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[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-7,14,21-trinaphthalen-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 HGOYQHKEBQMQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H44.C67H44.C53H36/c1-75(2)67-29-8-7-20-48(67)63-39-65-66(40-68(63)75)74(61-37-35-58-47-19-6-4-17-45(47)51-25-13-28-56(61)72(51)58)64-38-42(43-32-33-59-53-22-10-15-41-14-9-21-52(69(41)53)54-26-11-23-49(43)70(54)59)30-31-62(64)73(65)60-36-34-57-46-18-5-3-16-44(46)50-24-12-27-55(60)71(50)57;1-67(2)61-38-50(64-54-23-11-9-21-52(54)63(53-22-10-12-24-55(53)64)47-30-27-41-15-3-6-18-44(41)35-47)33-34-51(61)58-39-59-60(40-62(58)67)66(49-32-29-43-17-5-8-20-46(43)37-49)57-26-14-13-25-56(57)65(59)48-31-28-42-16-4-7-19-45(42)36-48;1-53(2)49-30-40(39-22-19-33-11-3-6-14-36(33)27-39)25-26-43(49)46-31-47-48(32-50(46)53)52(42-24-21-35-13-5-8-16-38(35)29-42)45-18-10-9-17-44(45)51(47)41-23-20-34-12-4-7-15-37(34)28-41/h3-40H,1-2H3;3-40H,1-2H3;3-32H,1-2H3.

What are the key properties of 14,21-di(fluoranthen-3-yl)-10,10-dimethyl-17-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[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-7,14,21-trinaphthalen-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?

14,21-di(fluoranthen-3-yl)-10,10-dimethyl-17-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[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-7,14,21-trinaphthalen-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 2467.14 g/mol, XLogP of 54.45, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 14,21-di(fluoranthen-3-yl)-10,10-dimethyl-17-perylen-3-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[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-7,14,21-trinaphthalen-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 158473087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).