8-(2-benzyl-1H-cyclopenta[a]naphthalen-1-yl)quinoline

C29H21N — CID 87762929

IUPAC8-(2-benzyl-1H-cyclopenta[a]naphthalen-1-yl)quinoline
SMILESC1=C(Cc2ccccc2)C(c2cccc3cccnc23)c2c1ccc1ccccc21
InChIInChI=1S/C29H21N/c1-2-8-20(9-3-1)18-24-19-23-16-15-21-10-4-5-13-25(21)27(23)28(24)26-14-6-11-22-12-7-17-30-29(22)26/h1-17,19,28H,18H2
InChIKeyYUBIKPPEWIFPLG-UHFFFAOYSA-N
MW383.49 g/mol
LogP7.16
Rot. Bonds3

About 8-(2-benzyl-1H-cyclopenta[a]naphthalen-1-yl)quinoline

8-(2-benzyl-1H-cyclopenta[a]naphthalen-1-yl)quinoline (PubChem CID 87762929) has the molecular formula C29H21N and a molecular weight of 383.49 g/mol. Its IUPAC name is 8-(2-benzyl-1H-cyclopenta[a]naphthalen-1-yl)quinoline.

Molecular Properties

Compound Name8-(2-benzyl-1H-cyclopenta[a]naphthalen-1-yl)quinoline
PubChem CID87762929
Molecular FormulaC29H21N
Molecular Weight383.49 g/mol
Exact Mass383.17
IUPAC Name8-(2-benzyl-1H-cyclopenta[a]naphthalen-1-yl)quinoline
SMILESC1=C(Cc2ccccc2)C(c2cccc3cccnc23)c2c1ccc1ccccc21
InChIInChI=1S/C29H21N/c1-2-8-20(9-3-1)18-24-19-23-16-15-21-10-4-5-13-25(21)27(23)28(24)26-14-6-11-22-12-7-17-30-29(22)26/h1-17,19,28H,18H2
InChIKeyYUBIKPPEWIFPLG-UHFFFAOYSA-N
XLogP7.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

benzo[h]quinoline;naphthalene
CID 175017782
CID 87856781
CID 87856781
8-cyclopropylquinoline
CID 66823369
2,3-dibenzyl-1,10-phenanthroline
CID 159421290
2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
CID 134167279
benzylbenzene;quinoline
CID 157081554
benzo[h]quinolin-10-ylhydrazine
CID 126501298
3-(9H-fluoren-9-yl)-1,10-phenanthroline
CID 101126567
7-(10-benzo[b][1,10]phenanthrolin-7-ylanthracen-9-yl)benzo[b][1,10]phenanthroline
CID 134559539
CID 58385596
CID 58385596
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049

Frequently Asked Questions

What is the IUPAC name of 8-(2-benzyl-1H-cyclopenta[a]naphthalen-1-yl)quinoline?
The IUPAC name of 8-(2-benzyl-1H-cyclopenta[a]naphthalen-1-yl)quinoline (CID 87762929) is 8-(2-benzyl-1H-cyclopenta[a]naphthalen-1-yl)quinoline.
What is the SMILES notation for 8-(2-benzyl-1H-cyclopenta[a]naphthalen-1-yl)quinoline?
The canonical SMILES for 8-(2-benzyl-1H-cyclopenta[a]naphthalen-1-yl)quinoline is C1=C(Cc2ccccc2)C(c2cccc3cccnc23)c2c1ccc1ccccc21.
What is the InChIKey of 8-(2-benzyl-1H-cyclopenta[a]naphthalen-1-yl)quinoline?
The InChIKey is YUBIKPPEWIFPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N/c1-2-8-20(9-3-1)18-24-19-23-16-15-21-10-4-5-13-25(21)27(23)28(24)26-14-6-11-22-12-7-17-30-29(22)26/h1-17,19,28H,18H2.
What are the key properties of 8-(2-benzyl-1H-cyclopenta[a]naphthalen-1-yl)quinoline?
8-(2-benzyl-1H-cyclopenta[a]naphthalen-1-yl)quinoline has a molecular weight of 383.49 g/mol, XLogP of 7.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-benzyl-1H-cyclopenta[a]naphthalen-1-yl)quinoline is sourced from PubChem (CID 87762929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).