1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene

C47H44 — CID 139962865

IUPAC1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene
SMILESCCCC1=Cc2c(-c3cccc4ccccc34)cccc2C1C(C)(C)C1C(CCC)=Cc2c(-c3cccc4ccccc34)cccc21
InChIInChI=1S/C47H44/c1-5-15-33-29-43-39(37-23-11-19-31-17-7-9-21-35(31)37)25-13-27-41(43)45(33)47(3,4)46-34(16-6-2)30-44-40(26-14-28-42(44)46)38-24-12-20-32-18-8-10-22-36(32)38/h7-14,17-30,45-46H,5-6,15-16H2,1-4H3
InChIKeyGKZDWPCRSYIKMF-UHFFFAOYSA-N
MW608.87 g/mol
LogP13.61
Rot. Bonds8

About 1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene

1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene (PubChem CID 139962865) has the molecular formula C47H44 and a molecular weight of 608.87 g/mol. Its IUPAC name is 1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene.

Molecular Properties

Compound Name1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene
PubChem CID139962865
Molecular FormulaC47H44
Molecular Weight608.87 g/mol
Exact Mass608.34
IUPAC Name1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene
SMILESCCCC1=Cc2c(-c3cccc4ccccc34)cccc2C1C(C)(C)C1C(CCC)=Cc2c(-c3cccc4ccccc34)cccc21
InChIInChI=1S/C47H44/c1-5-15-33-29-43-39(37-23-11-19-31-17-7-9-21-35(31)37)25-13-27-41(43)45(33)47(3,4)46-34(16-6-2)30-44-40(26-14-28-42(44)46)38-24-12-20-32-18-8-10-22-36(32)38/h7-14,17-30,45-46H,5-6,15-16H2,1-4H3
InChIKeyGKZDWPCRSYIKMF-UHFFFAOYSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.87
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene
CID 22994948
1-[2-methyl-3-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-3H-inden-1-yl]naphthalene
CID 173041020
CID 172998921
CID 172998921
2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene
CID 139962800
9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
bis(2-chloro-4-naphthalen-1-yl-1H-inden-1-yl)-dimethylsilane
CID 141041116
chloro-[dimethyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silyl]-dimethylsilane
CID 163422359
9-[2-butyl-1-(9H-fluoren-1-yl)-1H-inden-4-yl]anthracene
CID 159876720
CID 172998775
CID 172998775
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene?
The IUPAC name of 1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene (CID 139962865) is 1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene.
What is the SMILES notation for 1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene?
The canonical SMILES for 1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene is CCCC1=Cc2c(-c3cccc4ccccc34)cccc2C1C(C)(C)C1C(CCC)=Cc2c(-c3cccc4ccccc34)cccc21.
What is the InChIKey of 1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene?
The InChIKey is GKZDWPCRSYIKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H44/c1-5-15-33-29-43-39(37-23-11-19-31-17-7-9-21-35(31)37)25-13-27-41(43)45(33)47(3,4)46-34(16-6-2)30-44-40(26-14-28-42(44)46)38-24-12-20-32-18-8-10-22-36(32)38/h7-14,17-30,45-46H,5-6,15-16H2,1-4H3.
What are the key properties of 1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene?
1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene has a molecular weight of 608.87 g/mol, XLogP of 13.61, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene is sourced from PubChem (CID 139962865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).