8,8,13,13-tetramethyl-5,16-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene

C88H60 — CID 59182422

IUPAC8,8,13,13-tetramethyl-5,16-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
SMILESCC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)ccc2-c2ccc3c4c(ccc1c24)C(C)(C)c1cc(-c2ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc2)ccc1-3
InChIInChI=1S/C88H60/c1-87(2)77-47-48-78-86-76(66-44-42-62(52-80(66)88(78,3)4)56-31-37-58(38-32-56)82-69-23-11-15-27-73(69)84(74-28-16-12-24-70(74)82)64-40-34-54-18-6-8-20-60(54)50-64)46-45-75(85(77)86)65-43-41-61(51-79(65)87)55-29-35-57(36-30-55)81-67-21-9-13-25-71(67)83(72-26-14-10-22-68(72)81)63-39-33-53-17-5-7-19-59(53)49-63/h5-52H,1-4H3
InChIKeyJFINFIPVMGSOEQ-UHFFFAOYSA-N
MW1117.45 g/mol
LogP24.37
Rot. Bonds6

About 8,8,13,13-tetramethyl-5,16-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene

8,8,13,13-tetramethyl-5,16-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene (PubChem CID 59182422) has the molecular formula C88H60 and a molecular weight of 1117.45 g/mol. Its IUPAC name is 8,8,13,13-tetramethyl-5,16-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene.

Molecular Properties

Compound Name8,8,13,13-tetramethyl-5,16-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
PubChem CID59182422
Molecular FormulaC88H60
Molecular Weight1117.45 g/mol
Exact Mass1116.47
IUPAC Name8,8,13,13-tetramethyl-5,16-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
SMILESCC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)ccc2-c2ccc3c4c(ccc1c24)C(C)(C)c1cc(-c2ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc2)ccc1-3
InChIInChI=1S/C88H60/c1-87(2)77-47-48-78-86-76(66-44-42-62(52-80(66)88(78,3)4)56-31-37-58(38-32-56)82-69-23-11-15-27-73(69)84(74-28-16-12-24-70(74)82)64-40-34-54-18-6-8-20-60(54)50-64)46-45-75(85(77)86)65-43-41-61(51-79(65)87)55-29-35-57(36-30-55)81-67-21-9-13-25-71(67)83(72-26-14-10-22-68(72)81)63-39-33-53-17-5-7-19-59(53)49-63/h5-52H,1-4H3
InChIKeyJFINFIPVMGSOEQ-UHFFFAOYSA-N
XLogP24.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001117.45
LogP ≤ 524.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8,8,13,13-tetramethyl-5,16-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene with MolForge

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Related Compounds

9-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59725436
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
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 58175364
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene
CID 20822351
10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-2-ylanthracene;2,10-diphenyl-9-(4-phenylphenyl)anthracene;2,9,10-tris(9,9-dimethylfluoren-2-yl)anthracene
CID 162071769
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 159520005
9-(9,9-dimethylfluoren-2-yl)-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene
CID 20822332
2-[9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluorene
CID 123193635
8,8,13,13-tetramethyl-5,16-bis(10-naphthalen-1-ylanthracen-9-yl)hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59182479
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124

Frequently Asked Questions

What is the IUPAC name of 8,8,13,13-tetramethyl-5,16-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene?
The IUPAC name of 8,8,13,13-tetramethyl-5,16-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene (CID 59182422) is 8,8,13,13-tetramethyl-5,16-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene.
What is the SMILES notation for 8,8,13,13-tetramethyl-5,16-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene?
The canonical SMILES for 8,8,13,13-tetramethyl-5,16-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene is CC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)ccc2-c2ccc3c4c(ccc1c24)C(C)(C)c1cc(-c2ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc2)ccc1-3.
What is the InChIKey of 8,8,13,13-tetramethyl-5,16-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene?
The InChIKey is JFINFIPVMGSOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H60/c1-87(2)77-47-48-78-86-76(66-44-42-62(52-80(66)88(78,3)4)56-31-37-58(38-32-56)82-69-23-11-15-27-73(69)84(74-28-16-12-24-70(74)82)64-40-34-54-18-6-8-20-60(54)50-64)46-45-75(85(77)86)65-43-41-61(51-79(65)87)55-29-35-57(36-30-55)81-67-21-9-13-25-71(67)83(72-26-14-10-22-68(72)81)63-39-33-53-17-5-7-19-59(53)49-63/h5-52H,1-4H3.
What are the key properties of 8,8,13,13-tetramethyl-5,16-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene?
8,8,13,13-tetramethyl-5,16-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene has a molecular weight of 1117.45 g/mol, XLogP of 24.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,13,13-tetramethyl-5,16-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene is sourced from PubChem (CID 59182422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).