9,10-bis(9,9-dimethylfluoren-2-yl)-2-(3,9,9-trimethylfluoren-2-yl)anthracene;10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene

C158H116 — CID 159722155

About 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(3,9,9-trimethylfluoren-2-yl)anthracene;10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene

9,10-bis(9,9-dimethylfluoren-2-yl)-2-(3,9,9-trimethylfluoren-2-yl)anthracene;10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene (PubChem CID 159722155) has the molecular formula C158H116 and a molecular weight of 2014.67 g/mol. Its IUPAC name is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(3,9,9-trimethylfluoren-2-yl)anthracene;10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

• Compound Name: 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(3,9,9-trimethylfluoren-2-yl)anthracene;10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
• PubChem CID: 159722155
• Molecular Formula: C158H116
• Molecular Weight: 2014.67 g/mol
• Exact Mass: 2012.91
• IUPAC Name: 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(3,9,9-trimethylfluoren-2-yl)anthracene;10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
• SMILES: CC1(C)c2ccccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4cc(-c5ccc6ccccc6c5)ccc34)cc21.Cc1cc2c(cc1-c1ccc3c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3c1)C(C)(C)c1ccccc1-2
• InChI: InChI=1S/C60H48.C55H38.C43H30/c1-35-30-48-41-18-12-15-23-52(41)60(6,7)55(48)34-47(35)36-24-29-46-49(31-36)57(38-26-28-43-40-17-11-14-22-51(40)59(4,5)54(43)33-38)45-20-9-8-19-44(45)56(46)37-25-27-42-39-16-10-13-21-50(39)58(2,3)53(42)32-37;1-55(2)51-18-10-9-15-45(51)46-29-28-44(34-52(46)55)54-48-17-8-7-16-47(48)53(38-23-19-37(20-24-38)41-25-21-35-11-3-5-13-39(35)31-41)50-33-43(27-30-49(50)54)42-26-22-36-12-4-6-14-40(36)32-42;1-43(2)39-18-10-9-15-33(39)36-25-37-38(26-40(36)43)42(32-22-20-28-12-4-6-14-30(28)24-32)35-17-8-7-16-34(35)41(37)31-21-19-27-11-3-5-13-29(27)23-31/h8-34H,1-7H3;3-34H,1-2H3;3-26H,1-2H3
• InChIKey: NAECWJNBZIEFQE-UHFFFAOYSA-N
• XLogP: 43.43
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2014.67
LogP ≤ 5	43.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(3,9,9-trimethylfluoren-2-yl)anthracene;10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene?

The IUPAC name of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(3,9,9-trimethylfluoren-2-yl)anthracene;10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene (CID 159722155) is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(3,9,9-trimethylfluoren-2-yl)anthracene;10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene.

What is the SMILES notation for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(3,9,9-trimethylfluoren-2-yl)anthracene;10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene?

The canonical SMILES for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(3,9,9-trimethylfluoren-2-yl)anthracene;10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene is CC1(C)c2ccccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4cc(-c5ccc6ccccc6c5)ccc34)cc21.Cc1cc2c(cc1-c1ccc3c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3c1)C(C)(C)c1ccccc1-2.

What is the InChIKey of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(3,9,9-trimethylfluoren-2-yl)anthracene;10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene?

The InChIKey is NAECWJNBZIEFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48.C55H38.C43H30/c1-35-30-48-41-18-12-15-23-52(41)60(6,7)55(48)34-47(35)36-24-29-46-49(31-36)57(38-26-28-43-40-17-11-14-22-51(40)59(4,5)54(43)33-38)45-20-9-8-19-44(45)56(46)37-25-27-42-39-16-10-13-21-50(39)58(2,3)53(42)32-37;1-55(2)51-18-10-9-15-45(51)46-29-28-44(34-52(46)55)54-48-17-8-7-16-47(48)53(38-23-19-37(20-24-38)41-25-21-35-11-3-5-13-39(35)31-41)50-33-43(27-30-49(50)54)42-26-22-36-12-4-6-14-40(36)32-42;1-43(2)39-18-10-9-15-33(39)36-25-37-38(26-40(36)43)42(32-22-20-28-12-4-6-14-30(28)24-32)35-17-8-7-16-34(35)41(37)31-21-19-27-11-3-5-13-29(27)23-31/h8-34H,1-7H3;3-34H,1-2H3;3-26H,1-2H3.

What are the key properties of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(3,9,9-trimethylfluoren-2-yl)anthracene;10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene?

9,10-bis(9,9-dimethylfluoren-2-yl)-2-(3,9,9-trimethylfluoren-2-yl)anthracene;10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene has a molecular weight of 2014.67 g/mol, XLogP of 43.43, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(3,9,9-trimethylfluoren-2-yl)anthracene;10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 159722155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).