(13S,23R)-13-methylhexacyclo[15.5.1.02,14.03,12.04,9.020,23]tricosa-2(14),3(12),4,6,8,10,15,18,21-nonaene

C24H20 — CID 142461231

IUPAC(13S,23R)-13-methylhexacyclo[15.5.1.02,14.03,12.04,9.020,23]tricosa-2(14),3(12),4,6,8,10,15,18,21-nonaene
SMILESC[C@H]1C2=C(c3c1ccc1ccccc31)C1C=CC3C=CC(C=C2)[C@@H]31
InChIInChI=1S/C24H20/c1-14-18-11-8-15-4-2-3-5-20(15)23(18)24-19(14)12-9-16-6-7-17-10-13-21(24)22(16)17/h2-14,16-17,21-22H,1H3/t14-,16?,17?,21?,22+/m1/s1
InChIKeyHCOVZFFUBMYMCS-AZXYQCSPSA-N
MW308.42 g/mol
LogP5.88
Rot. Bonds

About (13S,23R)-13-methylhexacyclo[15.5.1.02,14.03,12.04,9.020,23]tricosa-2(14),3(12),4,6,8,10,15,18,21-nonaene

(13S,23R)-13-methylhexacyclo[15.5.1.02,14.03,12.04,9.020,23]tricosa-2(14),3(12),4,6,8,10,15,18,21-nonaene (PubChem CID 142461231) has the molecular formula C24H20 and a molecular weight of 308.42 g/mol. Its IUPAC name is (13S,23R)-13-methylhexacyclo[15.5.1.02,14.03,12.04,9.020,23]tricosa-2(14),3(12),4,6,8,10,15,18,21-nonaene.

Molecular Properties

Compound Name(13S,23R)-13-methylhexacyclo[15.5.1.02,14.03,12.04,9.020,23]tricosa-2(14),3(12),4,6,8,10,15,18,21-nonaene
PubChem CID142461231
Molecular FormulaC24H20
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Name(13S,23R)-13-methylhexacyclo[15.5.1.02,14.03,12.04,9.020,23]tricosa-2(14),3(12),4,6,8,10,15,18,21-nonaene
SMILESC[C@H]1C2=C(c3c1ccc1ccccc31)C1C=CC3C=CC(C=C2)[C@@H]31
InChIInChI=1S/C24H20/c1-14-18-11-8-15-4-2-3-5-20(15)23(18)24-19(14)12-9-16-6-7-17-10-13-21(24)22(16)17/h2-14,16-17,21-22H,1H3/t14-,16?,17?,21?,22+/m1/s1
InChIKeyHCOVZFFUBMYMCS-AZXYQCSPSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (13S,23R)-13-methylhexacyclo[15.5.1.02,14.03,12.04,9.020,23]tricosa-2(14),3(12),4,6,8,10,15,18,21-nonaene with MolForge

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Related Compounds

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(3R)-3-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one
CID 163151559
CID 135259743
CID 135259743
chlorogold;[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 134946313
2-methyl-1-(2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)-2,3-dihydrocyclopenta[a]naphthalene
CID 5245935
CID 70890856
CID 70890856
1-chloro-1H-cyclopropa[a]naphthalene
CID 67741182
(3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one
CID 139122410
14-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,16,18-octaene-13,15-dione
CID 163684213
(1S,14R)-hexacyclo[12.11.0.02,11.03,8.016,25.017,22]pentacosa-2(11),3,5,7,9,12,16(25),17,19,21,23-undecaen-15-one
CID 102130163
(3R)-3-[2-[(3R)-3H-cyclopenta[a]naphthalen-3-yl]propan-2-yl]-3H-cyclopenta[a]naphthalene
CID 101485883

Frequently Asked Questions

What is the IUPAC name of (13S,23R)-13-methylhexacyclo[15.5.1.02,14.03,12.04,9.020,23]tricosa-2(14),3(12),4,6,8,10,15,18,21-nonaene?
The IUPAC name of (13S,23R)-13-methylhexacyclo[15.5.1.02,14.03,12.04,9.020,23]tricosa-2(14),3(12),4,6,8,10,15,18,21-nonaene (CID 142461231) is (13S,23R)-13-methylhexacyclo[15.5.1.02,14.03,12.04,9.020,23]tricosa-2(14),3(12),4,6,8,10,15,18,21-nonaene.
What is the SMILES notation for (13S,23R)-13-methylhexacyclo[15.5.1.02,14.03,12.04,9.020,23]tricosa-2(14),3(12),4,6,8,10,15,18,21-nonaene?
The canonical SMILES for (13S,23R)-13-methylhexacyclo[15.5.1.02,14.03,12.04,9.020,23]tricosa-2(14),3(12),4,6,8,10,15,18,21-nonaene is C[C@H]1C2=C(c3c1ccc1ccccc31)C1C=CC3C=CC(C=C2)[C@@H]31.
What is the InChIKey of (13S,23R)-13-methylhexacyclo[15.5.1.02,14.03,12.04,9.020,23]tricosa-2(14),3(12),4,6,8,10,15,18,21-nonaene?
The InChIKey is HCOVZFFUBMYMCS-AZXYQCSPSA-N. The full InChI is InChI=1S/C24H20/c1-14-18-11-8-15-4-2-3-5-20(15)23(18)24-19(14)12-9-16-6-7-17-10-13-21(24)22(16)17/h2-14,16-17,21-22H,1H3/t14-,16?,17?,21?,22+/m1/s1.
What are the key properties of (13S,23R)-13-methylhexacyclo[15.5.1.02,14.03,12.04,9.020,23]tricosa-2(14),3(12),4,6,8,10,15,18,21-nonaene?
(13S,23R)-13-methylhexacyclo[15.5.1.02,14.03,12.04,9.020,23]tricosa-2(14),3(12),4,6,8,10,15,18,21-nonaene has a molecular weight of 308.42 g/mol, XLogP of 5.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (13S,23R)-13-methylhexacyclo[15.5.1.02,14.03,12.04,9.020,23]tricosa-2(14),3(12),4,6,8,10,15,18,21-nonaene is sourced from PubChem (CID 142461231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).