9',9'-dimethylspiro[1,4-dihydrocyclopenta[b]quinoline-9,10'-anthracene]

C27H23N — CID 155154701

IUPAC9',9'-dimethylspiro[1,4-dihydrocyclopenta[b]quinoline-9,10'-anthracene]
SMILESCC1(C)c2ccccc2C2(C3=C(C=CC3)Nc3ccccc32)c2ccccc21
InChIInChI=1S/C27H23N/c1-26(2)18-10-3-5-12-20(18)27(21-13-6-4-11-19(21)26)22-14-7-8-16-24(22)28-25-17-9-15-23(25)27/h3-14,16-17,28H,15H2,1-2H3
InChIKeyAUJZJVLUOLUWLG-UHFFFAOYSA-N
MW361.49 g/mol
LogP6.30
Rot. Bonds

About 9',9'-dimethylspiro[1,4-dihydrocyclopenta[b]quinoline-9,10'-anthracene]

9',9'-dimethylspiro[1,4-dihydrocyclopenta[b]quinoline-9,10'-anthracene] (PubChem CID 155154701) has the molecular formula C27H23N and a molecular weight of 361.49 g/mol. Its IUPAC name is 9',9'-dimethylspiro[1,4-dihydrocyclopenta[b]quinoline-9,10'-anthracene].

Molecular Properties

Compound Name9',9'-dimethylspiro[1,4-dihydrocyclopenta[b]quinoline-9,10'-anthracene]
PubChem CID155154701
Molecular FormulaC27H23N
Molecular Weight361.49 g/mol
Exact Mass361.18
IUPAC Name9',9'-dimethylspiro[1,4-dihydrocyclopenta[b]quinoline-9,10'-anthracene]
SMILESCC1(C)c2ccccc2C2(C3=C(C=CC3)Nc3ccccc32)c2ccccc21
InChIInChI=1S/C27H23N/c1-26(2)18-10-3-5-12-20(18)27(21-13-6-4-11-19(21)26)22-14-7-8-16-24(22)28-25-17-9-15-23(25)27/h3-14,16-17,28H,15H2,1-2H3
InChIKeyAUJZJVLUOLUWLG-UHFFFAOYSA-N
XLogP6.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9',9'-dimethylspiro[1,4-dihydrocyclopenta[b]quinoline-9,10'-anthracene]?
The IUPAC name of 9',9'-dimethylspiro[1,4-dihydrocyclopenta[b]quinoline-9,10'-anthracene] (CID 155154701) is 9',9'-dimethylspiro[1,4-dihydrocyclopenta[b]quinoline-9,10'-anthracene].
What is the SMILES notation for 9',9'-dimethylspiro[1,4-dihydrocyclopenta[b]quinoline-9,10'-anthracene]?
The canonical SMILES for 9',9'-dimethylspiro[1,4-dihydrocyclopenta[b]quinoline-9,10'-anthracene] is CC1(C)c2ccccc2C2(C3=C(C=CC3)Nc3ccccc32)c2ccccc21.
What is the InChIKey of 9',9'-dimethylspiro[1,4-dihydrocyclopenta[b]quinoline-9,10'-anthracene]?
The InChIKey is AUJZJVLUOLUWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N/c1-26(2)18-10-3-5-12-20(18)27(21-13-6-4-11-19(21)26)22-14-7-8-16-24(22)28-25-17-9-15-23(25)27/h3-14,16-17,28H,15H2,1-2H3.
What are the key properties of 9',9'-dimethylspiro[1,4-dihydrocyclopenta[b]quinoline-9,10'-anthracene]?
9',9'-dimethylspiro[1,4-dihydrocyclopenta[b]quinoline-9,10'-anthracene] has a molecular weight of 361.49 g/mol, XLogP of 6.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9',9'-dimethylspiro[1,4-dihydrocyclopenta[b]quinoline-9,10'-anthracene] is sourced from PubChem (CID 155154701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).