2,3,6,7,9,10-hexa(propan-2-yl)phenanthrene

C32H46 — CID 177088440

IUPAC2,3,6,7,9,10-hexa(propan-2-yl)phenanthrene
SMILESCC(C)c1cc2c(C(C)C)c(C(C)C)c3cc(C(C)C)c(C(C)C)cc3c2cc1C(C)C
InChIInChI=1S/C32H46/c1-17(2)23-13-27-28-14-24(18(3)4)26(20(7)8)16-30(28)32(22(11)12)31(21(9)10)29(27)15-25(23)19(5)6/h13-22H,1-12H3
InChIKeyMIWPDGYLZRYZSV-UHFFFAOYSA-N
MW430.72 g/mol
LogP10.73
Rot. Bonds6

About 2,3,6,7,9,10-hexa(propan-2-yl)phenanthrene

2,3,6,7,9,10-hexa(propan-2-yl)phenanthrene (PubChem CID 177088440) has the molecular formula C32H46 and a molecular weight of 430.72 g/mol. Its IUPAC name is 2,3,6,7,9,10-hexa(propan-2-yl)phenanthrene.

Molecular Properties

Compound Name2,3,6,7,9,10-hexa(propan-2-yl)phenanthrene
PubChem CID177088440
Molecular FormulaC32H46
Molecular Weight430.72 g/mol
Exact Mass430.36
IUPAC Name2,3,6,7,9,10-hexa(propan-2-yl)phenanthrene
SMILESCC(C)c1cc2c(C(C)C)c(C(C)C)c3cc(C(C)C)c(C(C)C)cc3c2cc1C(C)C
InChIInChI=1S/C32H46/c1-17(2)23-13-27-28-14-24(18(3)4)26(20(7)8)16-30(28)32(22(11)12)31(21(9)10)29(27)15-25(23)19(5)6/h13-22H,1-12H3
InChIKeyMIWPDGYLZRYZSV-UHFFFAOYSA-N
XLogP10.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 510.73
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

4,5-di(propan-2-yl)benzene-1,2-diamine
CID 122607621
2,6,8,12-tetra(propan-2-yl)chrysene
CID 164832540
6-methyl-1,2,7-tri(propan-2-yl)naphthalene
CID 142283671
5,6-di(propan-2-yl)-2H-benzotriazole
CID 118098380
5,6-di(propan-2-yl)-2,3-dihydro-1H-benzimidazole
CID 176693931
bis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene
CID 165025507
3,4,5-tri(propan-2-yl)benzonitrile
CID 142404502
4,5-di(propan-2-yl)benzene-1,2-dicarbonitrile
CID 122607615
3,4-dimethyl-2,5-di(propan-2-yl)aniline
CID 19747078
1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene
CID 54148027
2-amino-3,4,5-tri(propan-2-yl)benzenethiol
CID 134347258
6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodithiine
CID 59480282

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7,9,10-hexa(propan-2-yl)phenanthrene?
The IUPAC name of 2,3,6,7,9,10-hexa(propan-2-yl)phenanthrene (CID 177088440) is 2,3,6,7,9,10-hexa(propan-2-yl)phenanthrene.
What is the SMILES notation for 2,3,6,7,9,10-hexa(propan-2-yl)phenanthrene?
The canonical SMILES for 2,3,6,7,9,10-hexa(propan-2-yl)phenanthrene is CC(C)c1cc2c(C(C)C)c(C(C)C)c3cc(C(C)C)c(C(C)C)cc3c2cc1C(C)C.
What is the InChIKey of 2,3,6,7,9,10-hexa(propan-2-yl)phenanthrene?
The InChIKey is MIWPDGYLZRYZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46/c1-17(2)23-13-27-28-14-24(18(3)4)26(20(7)8)16-30(28)32(22(11)12)31(21(9)10)29(27)15-25(23)19(5)6/h13-22H,1-12H3.
What are the key properties of 2,3,6,7,9,10-hexa(propan-2-yl)phenanthrene?
2,3,6,7,9,10-hexa(propan-2-yl)phenanthrene has a molecular weight of 430.72 g/mol, XLogP of 10.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7,9,10-hexa(propan-2-yl)phenanthrene is sourced from PubChem (CID 177088440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).