9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentachlorophenyl)anthracene;2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene

C210H139Cl5 — CID 157113052

About 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentachlorophenyl)anthracene;2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene

9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentachlorophenyl)anthracene;2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene (PubChem CID 157113052) has the molecular formula C210H139Cl5 and a molecular weight of 2839.69 g/mol. Its IUPAC name is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentachlorophenyl)anthracene;2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene.

Molecular Properties

• Compound Name: 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentachlorophenyl)anthracene;2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
• PubChem CID: 157113052
• Molecular Formula: C210H139Cl5
• Molecular Weight: 2839.69 g/mol
• Exact Mass: 2834.93
• IUPAC Name: 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentachlorophenyl)anthracene;2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(-c7cccc8ccccc78)c7ccccc7c(-c7cccc8ccccc78)c6c5)cc4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5c(Cl)c(Cl)c(Cl)c(Cl)c5Cl)ccc34)cc21.Cc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1.c1ccc(-c2ccc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cccc6ccccc56)c4c3)c3ccccc23)cc1
• InChI: InChI=1S/C69H46.C50H33Cl5.C50H32.C41H28/c1-69(2)63-32-14-13-23-51(63)52-39-38-48(42-64(52)69)66-57-26-9-7-24-55(57)65(56-25-8-10-27-58(56)66)46-35-33-43(34-36-46)47-37-40-61-62(41-47)68(54-31-16-20-45-18-4-6-22-50(45)54)60-29-12-11-28-59(60)67(61)53-30-15-19-44-17-3-5-21-49(44)53;1-49(2)37-15-9-7-11-29(37)31-20-17-27(24-39(31)49)41-33-13-5-6-14-34(33)42(28-18-21-32-30-12-8-10-16-38(30)50(3,4)40(32)25-28)36-23-26(19-22-35(36)41)43-44(51)46(53)48(55)47(54)45(43)52;1-2-14-33(15-3-1)39-30-31-40(42-23-9-8-22-41(39)42)36-28-29-47-48(32-36)50(44-27-13-19-35-17-5-7-21-38(35)44)46-25-11-10-24-45(46)49(47)43-26-12-18-34-16-4-6-20-37(34)43;1-27-20-22-28(23-21-27)31-24-25-38-39(26-31)41(35-19-9-13-30-11-3-5-15-33(30)35)37-17-7-6-16-36(37)40(38)34-18-8-12-29-10-2-4-14-32(29)34/h3-42H,1-2H3;5-25H,1-4H3;1-32H;2-26H,1H3
• InChIKey: AHBNCRATPCPEFP-UHFFFAOYSA-N
• XLogP: 61.85
• TPSA: 0.00 Ų
• Rotatable Bonds: 15
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2839.69
LogP ≤ 5	61.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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-(2,3,4,5,6-pentachlorophenyl)anthracene;2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene?

The IUPAC name of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentachlorophenyl)anthracene;2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene (CID 157113052) is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentachlorophenyl)anthracene;2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene.

What is the SMILES notation for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentachlorophenyl)anthracene;2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene?

The canonical SMILES for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentachlorophenyl)anthracene;2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(-c7cccc8ccccc78)c7ccccc7c(-c7cccc8ccccc78)c6c5)cc4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5c(Cl)c(Cl)c(Cl)c(Cl)c5Cl)ccc34)cc21.Cc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1.c1ccc(-c2ccc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cccc6ccccc56)c4c3)c3ccccc23)cc1.

What is the InChIKey of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentachlorophenyl)anthracene;2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene?

The InChIKey is AHBNCRATPCPEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46.C50H33Cl5.C50H32.C41H28/c1-69(2)63-32-14-13-23-51(63)52-39-38-48(42-64(52)69)66-57-26-9-7-24-55(57)65(56-25-8-10-27-58(56)66)46-35-33-43(34-36-46)47-37-40-61-62(41-47)68(54-31-16-20-45-18-4-6-22-50(45)54)60-29-12-11-28-59(60)67(61)53-30-15-19-44-17-3-5-21-49(44)53;1-49(2)37-15-9-7-11-29(37)31-20-17-27(24-39(31)49)41-33-13-5-6-14-34(33)42(28-18-21-32-30-12-8-10-16-38(30)50(3,4)40(32)25-28)36-23-26(19-22-35(36)41)43-44(51)46(53)48(55)47(54)45(43)52;1-2-14-33(15-3-1)39-30-31-40(42-23-9-8-22-41(39)42)36-28-29-47-48(32-36)50(44-27-13-19-35-17-5-7-21-38(35)44)46-25-11-10-24-45(46)49(47)43-26-12-18-34-16-4-6-20-37(34)43;1-27-20-22-28(23-21-27)31-24-25-38-39(26-31)41(35-19-9-13-30-11-3-5-15-33(30)35)37-17-7-6-16-36(37)40(38)34-18-8-12-29-10-2-4-14-32(29)34/h3-42H,1-2H3;5-25H,1-4H3;1-32H;2-26H,1H3.

What are the key properties of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentachlorophenyl)anthracene;2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene?

9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentachlorophenyl)anthracene;2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene has a molecular weight of 2839.69 g/mol, XLogP of 61.85, 15 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-(2,3,4,5,6-pentachlorophenyl)anthracene;2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene is sourced from PubChem (CID 157113052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).