3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)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

C54H40 — CID 59182253

IUPAC3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)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
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2c1c1c(c3ccccc23)-c2ccc(-c3cccc4ccccc34)cc2C1(C)C
InChIInChI=1S/C54H40/c1-53(2)47-31-39(35-22-20-34(21-23-35)38-25-24-33-12-5-6-14-37(33)30-38)26-28-45(47)49-43-17-9-10-18-44(43)50-46-29-27-40(32-48(46)54(3,4)52(50)51(49)53)42-19-11-15-36-13-7-8-16-41(36)42/h5-32H,1-4H3
InChIKeyZVXVAJAJMNDMIC-UHFFFAOYSA-N
MW688.91 g/mol
LogP14.76
Rot. Bonds3

About 3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)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

3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)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 (PubChem CID 59182253) has the molecular formula C54H40 and a molecular weight of 688.91 g/mol. Its IUPAC name is 3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)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.

Molecular Properties

Compound Name3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)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
PubChem CID59182253
Molecular FormulaC54H40
Molecular Weight688.91 g/mol
Exact Mass688.31
IUPAC Name3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)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
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2c1c1c(c3ccccc23)-c2ccc(-c3cccc4ccccc34)cc2C1(C)C
InChIInChI=1S/C54H40/c1-53(2)47-31-39(35-22-20-34(21-23-35)38-25-24-33-12-5-6-14-37(33)30-38)26-28-45(47)49-43-17-9-10-18-44(43)50-46-29-27-40(32-48(46)54(3,4)52(50)51(49)53)42-19-11-15-36-13-7-8-16-41(36)42/h5-32H,1-4H3
InChIKeyZVXVAJAJMNDMIC-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.91
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)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 with MolForge

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Related Compounds

3,3,24,24-tetramethyl-6,21-dinaphthalen-2-ylhexacyclo[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 59181698
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
21,21-dimethyl-18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 158807784
tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)
CID 159354982
10,10-dimethyl-14,21-dinaphthalen-2-yl-7-(4-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;10,10-dimethyl-7-naphthalen-1-yl-14,21-dinaphthalen-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 158221077
21,21-dimethyl-18-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 160935676
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
11,11-dimethyl-9-naphthalen-2-ylbenzo[a]fluorene
CID 144938907
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;2-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene;2-(4-naphthalen-2-ylphenyl)-9-phenyl-10-(4-phenylphenyl)anthracene
CID 160521969
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-phenylanthracene;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-(4-phenylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-10-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 159934414

Frequently Asked Questions

What is the IUPAC name of 3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)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?
The IUPAC name of 3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)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 59182253) is 3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)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.
What is the SMILES notation for 3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)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?
The canonical SMILES for 3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)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 is CC1(C)c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)ccc2-c2c1c1c(c3ccccc23)-c2ccc(-c3cccc4ccccc34)cc2C1(C)C.
What is the InChIKey of 3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)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?
The InChIKey is ZVXVAJAJMNDMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40/c1-53(2)47-31-39(35-22-20-34(21-23-35)38-25-24-33-12-5-6-14-37(33)30-38)26-28-45(47)49-43-17-9-10-18-44(43)50-46-29-27-40(32-48(46)54(3,4)52(50)51(49)53)42-19-11-15-36-13-7-8-16-41(36)42/h5-32H,1-4H3.
What are the key properties of 3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)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?
3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)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 has a molecular weight of 688.91 g/mol, XLogP of 14.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,24,24-tetramethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)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 is sourced from PubChem (CID 59182253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).