1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene

C50H42 — CID 143607892

IUPAC1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
SMILESCc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1ccc2ccccc2c1-3.c1ccc2c(Cc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C29H26.C21H16/c1-17-10-12-20-21-15-26-22(16-25(21)29(4,5)24(20)14-17)27-19-9-7-6-8-18(19)11-13-23(27)28(26,2)3;1-3-13-20-16(7-1)9-5-11-18(20)15-19-12-6-10-17-8-2-4-14-21(17)19/h6-16H,1-5H3;1-14H,15H2
InChIKeyZONGFZZDBCXVQX-UHFFFAOYSA-N
MW642.89 g/mol
LogP13.34
Rot. Bonds2

About 1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene

1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene (PubChem CID 143607892) has the molecular formula C50H42 and a molecular weight of 642.89 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
PubChem CID143607892
Molecular FormulaC50H42
Molecular Weight642.89 g/mol
Exact Mass642.33
IUPAC Name1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
SMILESCc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1ccc2ccccc2c1-3.c1ccc2c(Cc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C29H26.C21H16/c1-17-10-12-20-21-15-26-22(16-25(21)29(4,5)24(20)14-17)27-19-9-7-6-8-18(19)11-13-23(27)28(26,2)3;1-3-13-20-16(7-1)9-5-11-18(20)15-19-12-6-10-17-8-2-4-14-21(17)19/h6-16H,1-5H3;1-14H,15H2
InChIKeyZONGFZZDBCXVQX-UHFFFAOYSA-N
XLogP13.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.89
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene with MolForge

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Related Compounds

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CID 146356929

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene?
The IUPAC name of 1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene (CID 143607892) is 1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene is Cc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1ccc2ccccc2c1-3.c1ccc2c(Cc3cccc4ccccc34)cccc2c1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene?
The InChIKey is ZONGFZZDBCXVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26.C21H16/c1-17-10-12-20-21-15-26-22(16-25(21)29(4,5)24(20)14-17)27-19-9-7-6-8-18(19)11-13-23(27)28(26,2)3;1-3-13-20-16(7-1)9-5-11-18(20)15-19-12-6-10-17-8-2-4-14-21(17)19/h6-16H,1-5H3;1-14H,15H2.
What are the key properties of 1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene?
1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene has a molecular weight of 642.89 g/mol, XLogP of 13.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene is sourced from PubChem (CID 143607892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).