(2S,4S,14S,16R)-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),5,7,9(26),10,12,17,19,21(25),22-decaene

C26H20 — CID 95564432

IUPAC(2S,4S,14S,16R)-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),5,7,9(26),10,12,17,19,21(25),22-decaene
SMILESc1cc2c3c(cccc3c1)[C@H]1C[C@H]3c4cccc5cccc(c45)[C@H]3C[C@H]21
InChIInChI=1S/C26H20/c1-5-15-6-2-10-18-22-14-24-20-12-4-8-16-7-3-11-19(26(16)20)23(24)13-21(22)17(9-1)25(15)18/h1-12,21-24H,13-14H2/t21-,22-,23-,24+/m1/s1
InChIKeyUFWHXJPHNAASJP-YCAMKHIRSA-N
MW332.45 g/mol
LogP6.85
Rot. Bonds

About (2S,4S,14S,16R)-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),5,7,9(26),10,12,17,19,21(25),22-decaene

(2S,4S,14S,16R)-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),5,7,9(26),10,12,17,19,21(25),22-decaene (PubChem CID 95564432) has the molecular formula C26H20 and a molecular weight of 332.45 g/mol. Its IUPAC name is (2S,4S,14S,16R)-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),5,7,9(26),10,12,17,19,21(25),22-decaene.

Molecular Properties

Compound Name(2S,4S,14S,16R)-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),5,7,9(26),10,12,17,19,21(25),22-decaene
PubChem CID95564432
Molecular FormulaC26H20
Molecular Weight332.45 g/mol
Exact Mass332.16
IUPAC Name(2S,4S,14S,16R)-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),5,7,9(26),10,12,17,19,21(25),22-decaene
SMILESc1cc2c3c(cccc3c1)[C@H]1C[C@H]3c4cccc5cccc(c45)[C@H]3C[C@H]21
InChIInChI=1S/C26H20/c1-5-15-6-2-10-18-22-14-24-20-12-4-8-16-7-3-11-19(26(16)20)23(24)13-21(22)17(9-1)25(15)18/h1-12,21-24H,13-14H2/t21-,22-,23-,24+/m1/s1
InChIKeyUFWHXJPHNAASJP-YCAMKHIRSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2S,4S,14S,16R)-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),5,7,9(26),10,12,17,19,21(25),22-decaene with MolForge

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Related Compounds

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CID 13067294
(11R,13S)-11-deuteriopentacyclo[7.5.1.05,15.010,14.011,13]pentadeca-1,3,5(15),6,8-pentaene
CID 23270805
3-methyltetracyclo[7.3.1.02,4.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 86129150
(10S,11R,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carbonitrile
CID 23256677
(10S,11R,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carboxylic acid
CID 23256679
(1R,2R)-2-bromo-1,2-dihydroacenaphthylen-1-ol
CID 11807034
tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 18362646
(10S,11R,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carboxamide
CID 23256675
(10S,11S,13R)-11-chlorotetracyclo[7.4.1.05,14.010,13]tetradeca-1,3,5(14),6,8-pentaene-11-carboxamide
CID 23256674
1-propan-2-yl-3-[2-(3-propan-2-yl-2,3-dihydro-1H-phenalen-1-yl)ethyl]-2,3-dihydro-1H-phenalene
CID 143021438
N-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene)hydroxylamine
CID 21414236

Frequently Asked Questions

What is the IUPAC name of (2S,4S,14S,16R)-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),5,7,9(26),10,12,17,19,21(25),22-decaene?
The IUPAC name of (2S,4S,14S,16R)-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),5,7,9(26),10,12,17,19,21(25),22-decaene (CID 95564432) is (2S,4S,14S,16R)-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),5,7,9(26),10,12,17,19,21(25),22-decaene.
What is the SMILES notation for (2S,4S,14S,16R)-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),5,7,9(26),10,12,17,19,21(25),22-decaene?
The canonical SMILES for (2S,4S,14S,16R)-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),5,7,9(26),10,12,17,19,21(25),22-decaene is c1cc2c3c(cccc3c1)[C@H]1C[C@H]3c4cccc5cccc(c45)[C@H]3C[C@H]21.
What is the InChIKey of (2S,4S,14S,16R)-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),5,7,9(26),10,12,17,19,21(25),22-decaene?
The InChIKey is UFWHXJPHNAASJP-YCAMKHIRSA-N. The full InChI is InChI=1S/C26H20/c1-5-15-6-2-10-18-22-14-24-20-12-4-8-16-7-3-11-19(26(16)20)23(24)13-21(22)17(9-1)25(15)18/h1-12,21-24H,13-14H2/t21-,22-,23-,24+/m1/s1.
What are the key properties of (2S,4S,14S,16R)-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),5,7,9(26),10,12,17,19,21(25),22-decaene?
(2S,4S,14S,16R)-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),5,7,9(26),10,12,17,19,21(25),22-decaene has a molecular weight of 332.45 g/mol, XLogP of 6.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,14S,16R)-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),5,7,9(26),10,12,17,19,21(25),22-decaene is sourced from PubChem (CID 95564432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).