8,8,13,13-tetramethyl-5,16-bis(2-phenylnaphthalen-1-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

C60H44 — CID 59181663

IUPAC8,8,13,13-tetramethyl-5,16-bis(2-phenylnaphthalen-1-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
SMILESCC1(C)c2cc(-c3c(-c4ccccc4)ccc4ccccc34)ccc2-c2ccc3c4c(ccc1c24)C(C)(C)c1cc(-c2c(-c4ccccc4)ccc4ccccc24)ccc1-3
InChIInChI=1S/C60H44/c1-59(2)51-33-34-52-58-50(48-30-26-42(36-54(48)60(52,3)4)56-44-22-14-12-20-40(44)24-28-46(56)38-17-9-6-10-18-38)32-31-49(57(51)58)47-29-25-41(35-53(47)59)55-43-21-13-11-19-39(43)23-27-45(55)37-15-7-5-8-16-37/h5-36H,1-4H3
InChIKeyOMYZZHSBTGIOFL-UHFFFAOYSA-N
MW765.01 g/mol
LogP16.43
Rot. Bonds4

About 8,8,13,13-tetramethyl-5,16-bis(2-phenylnaphthalen-1-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

8,8,13,13-tetramethyl-5,16-bis(2-phenylnaphthalen-1-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 (PubChem CID 59181663) has the molecular formula C60H44 and a molecular weight of 765.01 g/mol. Its IUPAC name is 8,8,13,13-tetramethyl-5,16-bis(2-phenylnaphthalen-1-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.

Molecular Properties

Compound Name8,8,13,13-tetramethyl-5,16-bis(2-phenylnaphthalen-1-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
PubChem CID59181663
Molecular FormulaC60H44
Molecular Weight765.01 g/mol
Exact Mass764.34
IUPAC Name8,8,13,13-tetramethyl-5,16-bis(2-phenylnaphthalen-1-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
SMILESCC1(C)c2cc(-c3c(-c4ccccc4)ccc4ccccc34)ccc2-c2ccc3c4c(ccc1c24)C(C)(C)c1cc(-c2c(-c4ccccc4)ccc4ccccc24)ccc1-3
InChIInChI=1S/C60H44/c1-59(2)51-33-34-52-58-50(48-30-26-42(36-54(48)60(52,3)4)56-44-22-14-12-20-40(44)24-28-46(56)38-17-9-6-10-18-38)32-31-49(57(51)58)47-29-25-41(35-53(47)59)55-43-21-13-11-19-39(43)23-27-45(55)37-15-7-5-8-16-37/h5-36H,1-4H3
InChIKeyOMYZZHSBTGIOFL-UHFFFAOYSA-N
XLogP16.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.01
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 8,8,13,13-tetramethyl-5,16-bis(2-phenylnaphthalen-1-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 with MolForge

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Related Compounds

8,8,21,21-tetramethyl-5,18-bis(2-phenylnaphthalen-1-yl)hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene
CID 59182205
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
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
N-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 130250677
2-[4-[1-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129228067
9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene
CID 58905940
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(2-phenylnaphthalen-1-yl)anthracene
CID 59196085
1-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)phenanthren-4-amine
CID 155125120
2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine
CID 130355546
9-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59725436
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417688
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 58151561

Frequently Asked Questions

What is the IUPAC name of 8,8,13,13-tetramethyl-5,16-bis(2-phenylnaphthalen-1-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?
The IUPAC name of 8,8,13,13-tetramethyl-5,16-bis(2-phenylnaphthalen-1-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 59181663) is 8,8,13,13-tetramethyl-5,16-bis(2-phenylnaphthalen-1-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.
What is the SMILES notation for 8,8,13,13-tetramethyl-5,16-bis(2-phenylnaphthalen-1-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?
The canonical SMILES for 8,8,13,13-tetramethyl-5,16-bis(2-phenylnaphthalen-1-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 is CC1(C)c2cc(-c3c(-c4ccccc4)ccc4ccccc34)ccc2-c2ccc3c4c(ccc1c24)C(C)(C)c1cc(-c2c(-c4ccccc4)ccc4ccccc24)ccc1-3.
What is the InChIKey of 8,8,13,13-tetramethyl-5,16-bis(2-phenylnaphthalen-1-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?
The InChIKey is OMYZZHSBTGIOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44/c1-59(2)51-33-34-52-58-50(48-30-26-42(36-54(48)60(52,3)4)56-44-22-14-12-20-40(44)24-28-46(56)38-17-9-6-10-18-38)32-31-49(57(51)58)47-29-25-41(35-53(47)59)55-43-21-13-11-19-39(43)23-27-45(55)37-15-7-5-8-16-37/h5-36H,1-4H3.
What are the key properties of 8,8,13,13-tetramethyl-5,16-bis(2-phenylnaphthalen-1-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?
8,8,13,13-tetramethyl-5,16-bis(2-phenylnaphthalen-1-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 has a molecular weight of 765.01 g/mol, XLogP of 16.43, 4 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(2-phenylnaphthalen-1-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 is sourced from PubChem (CID 59181663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).