14-methyl-5,8-diphenyltetracyclo[7.6.2.04,17.012,16]heptadeca-1(15),3,9,12(16),13-pentaene-6,7-dione

C30H24O2 — CID 174070072

IUPAC14-methyl-5,8-diphenyltetracyclo[7.6.2.04,17.012,16]heptadeca-1(15),3,9,12(16),13-pentaene-6,7-dione
SMILESCc1cc2c3c(c1)CC=C1C(c4ccccc4)C(=O)C(=O)C(c4ccccc4)C(=CC2)C13
InChIInChI=1S/C30H24O2/c1-18-16-21-12-14-23-26(19-8-4-2-5-9-19)29(31)30(32)27(20-10-6-3-7-11-20)24-15-13-22(17-18)25(21)28(23)24/h2-11,14-17,26-28H,12-13H2,1H3
InChIKeyRXCMPVCIDQURGZ-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.76
Rot. Bonds2

About 14-methyl-5,8-diphenyltetracyclo[7.6.2.04,17.012,16]heptadeca-1(15),3,9,12(16),13-pentaene-6,7-dione

14-methyl-5,8-diphenyltetracyclo[7.6.2.04,17.012,16]heptadeca-1(15),3,9,12(16),13-pentaene-6,7-dione (PubChem CID 174070072) has the molecular formula C30H24O2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 14-methyl-5,8-diphenyltetracyclo[7.6.2.04,17.012,16]heptadeca-1(15),3,9,12(16),13-pentaene-6,7-dione.

Molecular Properties

Compound Name14-methyl-5,8-diphenyltetracyclo[7.6.2.04,17.012,16]heptadeca-1(15),3,9,12(16),13-pentaene-6,7-dione
PubChem CID174070072
Molecular FormulaC30H24O2
Molecular Weight416.52 g/mol
Exact Mass416.18
IUPAC Name14-methyl-5,8-diphenyltetracyclo[7.6.2.04,17.012,16]heptadeca-1(15),3,9,12(16),13-pentaene-6,7-dione
SMILESCc1cc2c3c(c1)CC=C1C(c4ccccc4)C(=O)C(=O)C(c4ccccc4)C(=CC2)C13
InChIInChI=1S/C30H24O2/c1-18-16-21-12-14-23-26(19-8-4-2-5-9-19)29(31)30(32)27(20-10-6-3-7-11-20)24-15-13-22(17-18)25(21)28(23)24/h2-11,14-17,26-28H,12-13H2,1H3
InChIKeyRXCMPVCIDQURGZ-UHFFFAOYSA-N
XLogP5.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 14-methyl-5,8-diphenyltetracyclo[7.6.2.04,17.012,16]heptadeca-1(15),3,9,12(16),13-pentaene-6,7-dione with MolForge

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Related Compounds

22-methyl-2,16-diphenyl-4,14-diazaheptacyclo[18.6.2.03,15.05,13.06,11.017,27.024,28]octacosa-1(26),3,5(13),6,8,10,14,17,20(28),21,23-undecaene
CID 174070063
14-methyltetracyclo[7.6.2.04,17.012,16]heptadeca-1(15),3,9,12(16),13-pentaene-6,7-dione
CID 174070057
9-[4-(1,2-diphenylethyl)phenyl]-1,3,6,8-tetramethyl-9,10-dihydroanthracene
CID 163394704
8-bromo-6-methyl-3-phenyl-3,4-dihydrochromen-2-one
CID 46866067
(2S)-3-methylimino-2-phenylinden-1-one
CID 124846160
3-methylimino-2-phenylinden-1-one
CID 91824479
(3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one
CID 830700
4,6,7-trimethyl-3-phenyl-3H-1-benzofuran-2-one
CID 68705187
8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 14617627
4-phenylpyrazole-3,5-dione
CID 57268798
(4R)-2-ethoxy-5-methyl-4-phenylcyclopent-2-en-1-one
CID 134947311
oxozinc;toluene
CID 174379116

Frequently Asked Questions

What is the IUPAC name of 14-methyl-5,8-diphenyltetracyclo[7.6.2.04,17.012,16]heptadeca-1(15),3,9,12(16),13-pentaene-6,7-dione?
The IUPAC name of 14-methyl-5,8-diphenyltetracyclo[7.6.2.04,17.012,16]heptadeca-1(15),3,9,12(16),13-pentaene-6,7-dione (CID 174070072) is 14-methyl-5,8-diphenyltetracyclo[7.6.2.04,17.012,16]heptadeca-1(15),3,9,12(16),13-pentaene-6,7-dione.
What is the SMILES notation for 14-methyl-5,8-diphenyltetracyclo[7.6.2.04,17.012,16]heptadeca-1(15),3,9,12(16),13-pentaene-6,7-dione?
The canonical SMILES for 14-methyl-5,8-diphenyltetracyclo[7.6.2.04,17.012,16]heptadeca-1(15),3,9,12(16),13-pentaene-6,7-dione is Cc1cc2c3c(c1)CC=C1C(c4ccccc4)C(=O)C(=O)C(c4ccccc4)C(=CC2)C13.
What is the InChIKey of 14-methyl-5,8-diphenyltetracyclo[7.6.2.04,17.012,16]heptadeca-1(15),3,9,12(16),13-pentaene-6,7-dione?
The InChIKey is RXCMPVCIDQURGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O2/c1-18-16-21-12-14-23-26(19-8-4-2-5-9-19)29(31)30(32)27(20-10-6-3-7-11-20)24-15-13-22(17-18)25(21)28(23)24/h2-11,14-17,26-28H,12-13H2,1H3.
What are the key properties of 14-methyl-5,8-diphenyltetracyclo[7.6.2.04,17.012,16]heptadeca-1(15),3,9,12(16),13-pentaene-6,7-dione?
14-methyl-5,8-diphenyltetracyclo[7.6.2.04,17.012,16]heptadeca-1(15),3,9,12(16),13-pentaene-6,7-dione has a molecular weight of 416.52 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-5,8-diphenyltetracyclo[7.6.2.04,17.012,16]heptadeca-1(15),3,9,12(16),13-pentaene-6,7-dione is sourced from PubChem (CID 174070072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).