9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene

C68H48 — CID 59182575

IUPAC9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2c1ccc1c3c(ccc21)C(C)(C)c1cc(-c2c4ccccc4c(-c4ccccc4)c4ccccc24)ccc1-3
InChIInChI=1S/C68H48/c1-67(2)57-37-35-54-53(65(57)55-33-31-43(39-59(55)67)63-49-27-15-11-23-45(49)61(41-19-7-5-8-20-41)46-24-12-16-28-50(46)63)36-38-58-66(54)56-34-32-44(40-60(56)68(58,3)4)64-51-29-17-13-25-47(51)62(42-21-9-6-10-22-42)48-26-14-18-30-52(48)64/h5-40H,1-4H3
InChIKeyHQCHREQSRRYGKK-UHFFFAOYSA-N
MW865.13 g/mol
LogP18.73
Rot. Bonds4

About 9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene

9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene (PubChem CID 59182575) has the molecular formula C68H48 and a molecular weight of 865.13 g/mol. Its IUPAC name is 9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene.

Molecular Properties

Compound Name9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
PubChem CID59182575
Molecular FormulaC68H48
Molecular Weight865.13 g/mol
Exact Mass864.38
IUPAC Name9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2c1ccc1c3c(ccc21)C(C)(C)c1cc(-c2c4ccccc4c(-c4ccccc4)c4ccccc24)ccc1-3
InChIInChI=1S/C68H48/c1-67(2)57-37-35-54-53(65(57)55-33-31-43(39-59(55)67)63-49-27-15-11-23-45(49)61(41-19-7-5-8-20-41)46-24-12-16-28-50(46)63)36-38-58-66(54)56-34-32-44(40-60(56)68(58,3)4)64-51-29-17-13-25-47(51)62(42-21-9-6-10-22-42)48-26-14-18-30-52(48)64/h5-40H,1-4H3
InChIKeyHQCHREQSRRYGKK-UHFFFAOYSA-N
XLogP18.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.13
LogP ≤ 518.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene with MolForge

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Related Compounds

9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158811180
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880
7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
CID 158411932
7,7-dimethyl-9-naphthalen-2-yl-4-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 163838484
21,21-dimethyl-18-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15(20),16,18,23-undecaene
CID 130211869
7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene
CID 158971637
8,8-dimethyl-10-(10-phenylanthracen-9-yl)indeno[1,2-a]thianthrene
CID 118081185
3,3,24,24-tetramethyl-6,21-bis[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59181616
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
9-(9,10-dinaphthalen-2-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene
CID 58323017
7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran
CID 122415883

Frequently Asked Questions

What is the IUPAC name of 9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene?
The IUPAC name of 9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene (CID 59182575) is 9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene.
What is the SMILES notation for 9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene?
The canonical SMILES for 9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene is CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2c1ccc1c3c(ccc21)C(C)(C)c1cc(-c2c4ccccc4c(-c4ccccc4)c4ccccc24)ccc1-3.
What is the InChIKey of 9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene?
The InChIKey is HQCHREQSRRYGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48/c1-67(2)57-37-35-54-53(65(57)55-33-31-43(39-59(55)67)63-49-27-15-11-23-45(49)61(41-19-7-5-8-20-41)46-24-12-16-28-50(46)63)36-38-58-66(54)56-34-32-44(40-60(56)68(58,3)4)64-51-29-17-13-25-47(51)62(42-21-9-6-10-22-42)48-26-14-18-30-52(48)64/h5-40H,1-4H3.
What are the key properties of 9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene?
9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene has a molecular weight of 865.13 g/mol, XLogP of 18.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene is sourced from PubChem (CID 59182575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).