9,10-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)anthracene

C34H38 — CID 150900181

IUPAC9,10-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)anthracene
SMILESCC1=C(C)C(C)(c2c3ccccc3c(C3(C)C(C)=C(C)C(C)=C3C)c3ccccc23)C(C)=C1C
InChIInChI=1S/C34H38/c1-19-20(2)24(6)33(9,23(19)5)31-27-15-11-13-17-29(27)32(30-18-14-12-16-28(30)31)34(10)25(7)21(3)22(4)26(34)8/h11-18H,1-10H3
InChIKeyKZVPIKVCZVDMTF-UHFFFAOYSA-N
MW446.68 g/mol
LogP9.88
Rot. Bonds2

About 9,10-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)anthracene

9,10-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)anthracene (PubChem CID 150900181) has the molecular formula C34H38 and a molecular weight of 446.68 g/mol. Its IUPAC name is 9,10-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)anthracene.

Molecular Properties

Compound Name9,10-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)anthracene
PubChem CID150900181
Molecular FormulaC34H38
Molecular Weight446.68 g/mol
Exact Mass446.30
IUPAC Name9,10-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)anthracene
SMILESCC1=C(C)C(C)(c2c3ccccc3c(C3(C)C(C)=C(C)C(C)=C3C)c3ccccc23)C(C)=C1C
InChIInChI=1S/C34H38/c1-19-20(2)24(6)33(9,23(19)5)31-27-15-11-13-17-29(27)32(30-18-14-12-16-28(30)31)34(10)25(7)21(3)22(4)26(34)8/h11-18H,1-10H3
InChIKeyKZVPIKVCZVDMTF-UHFFFAOYSA-N
XLogP9.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.68
LogP ≤ 59.88
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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Frequently Asked Questions

What is the IUPAC name of 9,10-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)anthracene?
The IUPAC name of 9,10-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)anthracene (CID 150900181) is 9,10-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)anthracene.
What is the SMILES notation for 9,10-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)anthracene?
The canonical SMILES for 9,10-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)anthracene is CC1=C(C)C(C)(c2c3ccccc3c(C3(C)C(C)=C(C)C(C)=C3C)c3ccccc23)C(C)=C1C.
What is the InChIKey of 9,10-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)anthracene?
The InChIKey is KZVPIKVCZVDMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38/c1-19-20(2)24(6)33(9,23(19)5)31-27-15-11-13-17-29(27)32(30-18-14-12-16-28(30)31)34(10)25(7)21(3)22(4)26(34)8/h11-18H,1-10H3.
What are the key properties of 9,10-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)anthracene?
9,10-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)anthracene has a molecular weight of 446.68 g/mol, XLogP of 9.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)anthracene is sourced from PubChem (CID 150900181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).