2,6,8,12-tetra(propan-2-yl)chrysene

C30H36 — CID 164832540

IUPAC2,6,8,12-tetra(propan-2-yl)chrysene
SMILESCC(C)c1ccc2c(c1)c(C(C)C)cc1c3ccc(C(C)C)cc3c(C(C)C)cc21
InChIInChI=1S/C30H36/c1-17(2)21-9-11-23-27(13-21)25(19(5)6)15-30-24-12-10-22(18(3)4)14-28(24)26(20(7)8)16-29(23)30/h9-20H,1-8H3
InChIKeyJDARGBHHCLZCHQ-UHFFFAOYSA-N
MW396.62 g/mol
LogP9.64
Rot. Bonds4

About 2,6,8,12-tetra(propan-2-yl)chrysene

2,6,8,12-tetra(propan-2-yl)chrysene (PubChem CID 164832540) has the molecular formula C30H36 and a molecular weight of 396.62 g/mol. Its IUPAC name is 2,6,8,12-tetra(propan-2-yl)chrysene.

Molecular Properties

Compound Name2,6,8,12-tetra(propan-2-yl)chrysene
PubChem CID164832540
Molecular FormulaC30H36
Molecular Weight396.62 g/mol
Exact Mass396.28
IUPAC Name2,6,8,12-tetra(propan-2-yl)chrysene
SMILESCC(C)c1ccc2c(c1)c(C(C)C)cc1c3ccc(C(C)C)cc3c(C(C)C)cc21
InChIInChI=1S/C30H36/c1-17(2)21-9-11-23-27(13-21)25(19(5)6)15-30-24-12-10-22(18(3)4)14-28(24)26(20(7)8)16-29(23)30/h9-20H,1-8H3
InChIKeyJDARGBHHCLZCHQ-UHFFFAOYSA-N
XLogP9.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9,10-dimethyl-2-propan-2-ylphenanthrene
CID 140734876
8,31-bis(3,5-ditert-butylphenyl)-13,26-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene
CID 58402080
3-propan-2-ylchrysene
CID 54288405
1,6-di(propan-2-yl)naphthalene
CID 3016596
2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene
CID 22103899
3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one
CID 178050308
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
2,4-di(propan-2-yl)phenol
CID 18048
[2,5-di(propan-2-yl)phenyl]phosphane
CID 146386628
10-methyl-2-propan-2-ylphenanthrene
CID 613068
3-chloro-5-propan-2-yl-2H-indazole
CID 89476289

Frequently Asked Questions

What is the IUPAC name of 2,6,8,12-tetra(propan-2-yl)chrysene?
The IUPAC name of 2,6,8,12-tetra(propan-2-yl)chrysene (CID 164832540) is 2,6,8,12-tetra(propan-2-yl)chrysene.
What is the SMILES notation for 2,6,8,12-tetra(propan-2-yl)chrysene?
The canonical SMILES for 2,6,8,12-tetra(propan-2-yl)chrysene is CC(C)c1ccc2c(c1)c(C(C)C)cc1c3ccc(C(C)C)cc3c(C(C)C)cc21.
What is the InChIKey of 2,6,8,12-tetra(propan-2-yl)chrysene?
The InChIKey is JDARGBHHCLZCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36/c1-17(2)21-9-11-23-27(13-21)25(19(5)6)15-30-24-12-10-22(18(3)4)14-28(24)26(20(7)8)16-29(23)30/h9-20H,1-8H3.
What are the key properties of 2,6,8,12-tetra(propan-2-yl)chrysene?
2,6,8,12-tetra(propan-2-yl)chrysene has a molecular weight of 396.62 g/mol, XLogP of 9.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8,12-tetra(propan-2-yl)chrysene is sourced from PubChem (CID 164832540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).