2-methyl-1-[2-methyl-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalen-1-yl]-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalene

C76H54 — CID 123228379

IUPAC2-methyl-1-[2-methyl-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalen-1-yl]-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalene
SMILESCc1c(-c2ccc3ccccc3c2)cc(-c2cccc3ccccc23)cc1-c1cc2ccccc2c(-c2c(C)c(-c3cc(-c4cccc5ccccc45)cc(-c4ccc5ccccc5c4)c3C)cc3ccccc23)c1C
InChIInChI=1S/C76H54/c1-47-69(59-37-35-51-19-5-7-23-55(51)39-59)43-61(65-33-17-27-53-21-9-13-29-63(53)65)45-71(47)73-41-57-25-11-15-31-67(57)75(49(73)3)76-50(4)74(42-58-26-12-16-32-68(58)76)72-46-62(66-34-18-28-54-22-10-14-30-64(54)66)44-70(48(72)2)60-38-36-52-20-6-8-24-56(52)40-60/h5-46H,1-4H3
InChIKeyOPRBPMDRYHIQJV-UHFFFAOYSA-N
MW967.27 g/mol
LogP21.51
Rot. Bonds7

About 2-methyl-1-[2-methyl-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalen-1-yl]-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalene

2-methyl-1-[2-methyl-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalen-1-yl]-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalene (PubChem CID 123228379) has the molecular formula C76H54 and a molecular weight of 967.27 g/mol. Its IUPAC name is 2-methyl-1-[2-methyl-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalen-1-yl]-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalene.

Molecular Properties

Compound Name2-methyl-1-[2-methyl-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalen-1-yl]-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalene
PubChem CID123228379
Molecular FormulaC76H54
Molecular Weight967.27 g/mol
Exact Mass966.42
IUPAC Name2-methyl-1-[2-methyl-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalen-1-yl]-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalene
SMILESCc1c(-c2ccc3ccccc3c2)cc(-c2cccc3ccccc23)cc1-c1cc2ccccc2c(-c2c(C)c(-c3cc(-c4cccc5ccccc45)cc(-c4ccc5ccccc5c4)c3C)cc3ccccc23)c1C
InChIInChI=1S/C76H54/c1-47-69(59-37-35-51-19-5-7-23-55(51)39-59)43-61(65-33-17-27-53-21-9-13-29-63(53)65)45-71(47)73-41-57-25-11-15-31-67(57)75(49(73)3)76-50(4)74(42-58-26-12-16-32-68(58)76)72-46-62(66-34-18-28-54-22-10-14-30-64(54)66)44-70(48(72)2)60-38-36-52-20-6-8-24-56(52)40-60/h5-46H,1-4H3
InChIKeyOPRBPMDRYHIQJV-UHFFFAOYSA-N
XLogP21.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.27
LogP ≤ 521.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-methyl-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalen-1-yl]-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalene?
The IUPAC name of 2-methyl-1-[2-methyl-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalen-1-yl]-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalene (CID 123228379) is 2-methyl-1-[2-methyl-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalen-1-yl]-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalene.
What is the SMILES notation for 2-methyl-1-[2-methyl-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalen-1-yl]-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalene?
The canonical SMILES for 2-methyl-1-[2-methyl-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalen-1-yl]-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalene is Cc1c(-c2ccc3ccccc3c2)cc(-c2cccc3ccccc23)cc1-c1cc2ccccc2c(-c2c(C)c(-c3cc(-c4cccc5ccccc45)cc(-c4ccc5ccccc5c4)c3C)cc3ccccc23)c1C.
What is the InChIKey of 2-methyl-1-[2-methyl-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalen-1-yl]-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalene?
The InChIKey is OPRBPMDRYHIQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H54/c1-47-69(59-37-35-51-19-5-7-23-55(51)39-59)43-61(65-33-17-27-53-21-9-13-29-63(53)65)45-71(47)73-41-57-25-11-15-31-67(57)75(49(73)3)76-50(4)74(42-58-26-12-16-32-68(58)76)72-46-62(66-34-18-28-54-22-10-14-30-64(54)66)44-70(48(72)2)60-38-36-52-20-6-8-24-56(52)40-60/h5-46H,1-4H3.
What are the key properties of 2-methyl-1-[2-methyl-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalen-1-yl]-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalene?
2-methyl-1-[2-methyl-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalen-1-yl]-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalene has a molecular weight of 967.27 g/mol, XLogP of 21.51, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-methyl-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalen-1-yl]-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalene is sourced from PubChem (CID 123228379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).