1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene

C77H76 — CID 160911611

IUPAC1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene
SMILESCC(C)c1c2ccccc2cc2ccccc12.CC(C)c1ccc2cc3ccccc3cc2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2cc3ccccc3cc12.CC(C)c1cccc2ccccc12
InChIInChI=1S/3C17H16.2C13H14/c1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;1-12(2)16-9-5-8-15-10-13-6-3-4-7-14(13)11-17(15)16;1-12(2)13-7-8-16-10-14-5-3-4-6-15(14)11-17(16)9-13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3*3-12H,1-2H3;2*3-10H,1-2H3
InChIKeySQWADLRYYSVCOC-UHFFFAOYSA-N
MW1001.46 g/mol
LogP23.28
Rot. Bonds5

About 1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene

1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene (PubChem CID 160911611) has the molecular formula C77H76 and a molecular weight of 1001.46 g/mol. Its IUPAC name is 1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene.

Molecular Properties

Compound Name1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene
PubChem CID160911611
Molecular FormulaC77H76
Molecular Weight1001.46 g/mol
Exact Mass1000.59
IUPAC Name1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene
SMILESCC(C)c1c2ccccc2cc2ccccc12.CC(C)c1ccc2cc3ccccc3cc2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2cc3ccccc3cc12.CC(C)c1cccc2ccccc12
InChIInChI=1S/3C17H16.2C13H14/c1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;1-12(2)16-9-5-8-15-10-13-6-3-4-7-14(13)11-17(15)16;1-12(2)13-7-8-16-10-14-5-3-4-6-15(14)11-17(16)9-13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3*3-12H,1-2H3;2*3-10H,1-2H3
InChIKeySQWADLRYYSVCOC-UHFFFAOYSA-N
XLogP23.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.46
LogP ≤ 523.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,6-di(propan-2-yl)naphthalene
CID 3016596
bis(1,3-di(propan-2-yl)naphthalene);1,4-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene
CID 161209991
carbanide;cumene;ethane;methane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;tris(yttrium)
CID 158874697
2-propan-2-ylpentacene
CID 153380535
bis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene
CID 160772436
7-methyl-1-propan-2-ylanthracene
CID 144739282
tetrakis(hexa-1,3,5-triyne);bis(penta-1,3-diyne);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);bis(prop-1-yne)
CID 167563670
2-butan-2-ylanthracene;9-butan-2-ylanthracene;butan-2-ylbenzene;1-butan-2-ylnaphthalene;2-butan-2-ylnaphthalene;3-butan-2-ylphenanthrene;ethane
CID 162227135
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
ethane;2-propan-2-ylnaphthalene
CID 142226111
2,9-di(propan-2-yl)pentacene
CID 153380534
1-naphthalen-2-yl-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 57253252

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene?
The IUPAC name of 1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene (CID 160911611) is 1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene.
What is the SMILES notation for 1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene?
The canonical SMILES for 1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene is CC(C)c1c2ccccc2cc2ccccc12.CC(C)c1ccc2cc3ccccc3cc2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2cc3ccccc3cc12.CC(C)c1cccc2ccccc12.
What is the InChIKey of 1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene?
The InChIKey is SQWADLRYYSVCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H16.2C13H14/c1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;1-12(2)16-9-5-8-15-10-13-6-3-4-7-14(13)11-17(15)16;1-12(2)13-7-8-16-10-14-5-3-4-6-15(14)11-17(16)9-13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3*3-12H,1-2H3;2*3-10H,1-2H3.
What are the key properties of 1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene?
1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene has a molecular weight of 1001.46 g/mol, XLogP of 23.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene is sourced from PubChem (CID 160911611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).