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

C60H44 — CID 59182205

IUPAC8,8,21,21-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
SMILESCC1(C)c2cc(-c3c(-c4ccccc4)ccc4ccccc34)ccc2-c2c1cc1c3c(cccc23)C(C)(C)c2cc(-c3c(-c4ccccc4)ccc4ccccc34)ccc2-1
InChIInChI=1S/C60H44/c1-59(2)51-25-15-24-49-57-48-33-29-42(56-44-23-14-12-21-40(44)27-31-46(56)38-18-9-6-10-19-38)35-53(48)60(3,4)54(57)36-50(58(49)51)47-32-28-41(34-52(47)59)55-43-22-13-11-20-39(43)26-30-45(55)37-16-7-5-8-17-37/h5-36H,1-4H3
InChIKeySZKCDKXUBVLSSQ-UHFFFAOYSA-N
MW765.01 g/mol
LogP16.43
Rot. Bonds4

About 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

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 (PubChem CID 59182205) has the molecular formula C60H44 and a molecular weight of 765.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8,8,21,21-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
PubChem CID59182205
Molecular FormulaC60H44
Molecular Weight765.01 g/mol
Exact Mass764.34
IUPAC Name8,8,21,21-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
SMILESCC1(C)c2cc(-c3c(-c4ccccc4)ccc4ccccc34)ccc2-c2c1cc1c3c(cccc23)C(C)(C)c2cc(-c3c(-c4ccccc4)ccc4ccccc34)ccc2-1
InChIInChI=1S/C60H44/c1-59(2)51-25-15-24-49-57-48-33-29-42(56-44-23-14-12-21-40(44)27-31-46(56)38-18-9-6-10-19-38)35-53(48)60(3,4)54(57)36-50(58(49)51)47-32-28-41(34-52(47)59)55-43-22-13-11-20-39(43)26-30-45(55)37-16-7-5-8-17-37/h5-36H,1-4H3
InChIKeySZKCDKXUBVLSSQ-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 8,8,21,21-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N,N-diphenyl-4-[8,8,21,21-tetramethyl-18-[4-(N-phenylanilino)naphthalen-1-yl]-5-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-undecaenyl]naphthalen-1-amine;8,8,21,21-tetramethyl-5,18-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]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;8,8,21,21-tetramethyl-5-naphthalen-1-yl-18-(4-naphthalen-1-ylphenyl)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;8,8,21,21-tetramethyl-5-naphthalen-1-yl-18-(4-naphthalen-2-ylphenyl)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;8,8,21,21-tetramethyl-5-naphthalen-2-yl-18-(4-naphthalen-1-ylphenyl)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 158355906
5,18-bis(4-tert-butylphenyl)-8,8,21,21-tetramethylhexacyclo[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;8,8,21,21-tetramethyl-5,18-bis(4-methylphenyl)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;8,8,21,21-tetramethyl-5,18-dinaphthalen-1-ylhexacyclo[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;8,8,21,21-tetramethyl-5,18-dinaphthalen-2-ylhexacyclo[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;8,8,21,21-tetramethyl-5,18-diphenylhexacyclo[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 161049206
7'-(2-phenylnaphthalen-1-yl)spiro[fluorene-9,24'-heptacyclo[14.10.1.02,11.04,9.012,27.017,25.018,23]heptacosa-1(26),2(11),3,5,7,9,12,14,16(27),17(25),18,20,22-tridecaene]
CID 123549000
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
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417688
11,11-dimethyl-9-(10-phenylanthracen-9-yl)benzo[a]fluorene;11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 157171169
2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-[3-[9,9-dimethyl-7-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 167056770
2-(7,7-dimethylbenzo[g]fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine
CID 130355546
1-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)phenanthren-4-amine
CID 155125120
11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 160671642
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-4-phenylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-1-phenylanthracene
CID 20822392

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3c(-c4ccccc4)ccc4ccccc34)ccc2-c2c1cc1c3c(cccc23)C(C)(C)c2cc(-c3c(-c4ccccc4)ccc4ccccc34)ccc2-1.
What is the InChIKey of 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?
The InChIKey is SZKCDKXUBVLSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44/c1-59(2)51-25-15-24-49-57-48-33-29-42(56-44-23-14-12-21-40(44)27-31-46(56)38-18-9-6-10-19-38)35-53(48)60(3,4)54(57)36-50(58(49)51)47-32-28-41(34-52(47)59)55-43-22-13-11-20-39(43)26-30-45(55)37-16-7-5-8-17-37/h5-36H,1-4H3.
What are the key properties of 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?
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 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 8,8,21,21-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 is sourced from PubChem (CID 59182205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).