nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene

C34H22 — CID 59863436

IUPACnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)Cc1cc3c(cc1-2)Cc1ccccc1-3
InChIInChI=1S/C34H22/c1-3-7-27-19(5-1)9-21-15-31-23(13-29(21)27)11-25-18-34-26(17-33(25)31)12-24-14-30-22(16-32(24)34)10-20-6-2-4-8-28(20)30/h1-8,13-18H,9-12H2
InChIKeyVMIODLMFZYFZTO-UHFFFAOYSA-N
MW430.55 g/mol
LogP7.97
Rot. Bonds

About nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene

nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene (PubChem CID 59863436) has the molecular formula C34H22 and a molecular weight of 430.55 g/mol. Its IUPAC name is nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene.

Molecular Properties

Compound Namenonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
PubChem CID59863436
Molecular FormulaC34H22
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC Namenonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)Cc1cc3c(cc1-2)Cc1ccccc1-3
InChIInChI=1S/C34H22/c1-3-7-27-19(5-1)9-21-15-31-23(13-29(21)27)11-25-18-34-26(17-33(25)31)12-24-14-30-22(16-32(24)34)10-20-6-2-4-8-28(20)30/h1-8,13-18H,9-12H2
InChIKeyVMIODLMFZYFZTO-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene with MolForge

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Related Compounds

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CID 174601741
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
chromium;9H-fluorene
CID 161167703
tetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene
CID 90965894
9H-fluorene;3-iodo-9H-fluorene
CID 169429949
azane;9H-fluorene;hydrobromide
CID 174352852
ethene;9H-fluorene
CID 159544077
9H-fluorene;sulfane;hydrate
CID 159057499
undecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.020,25.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,20,22,24,26,29(41),30,32,34,36,39-octadecaene
CID 132604363
ethane;hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene
CID 160763232

Frequently Asked Questions

What is the IUPAC name of nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene?
The IUPAC name of nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene (CID 59863436) is nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene.
What is the SMILES notation for nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene?
The canonical SMILES for nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene is c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)Cc1cc3c(cc1-2)Cc1ccccc1-3.
What is the InChIKey of nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene?
The InChIKey is VMIODLMFZYFZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22/c1-3-7-27-19(5-1)9-21-15-31-23(13-29(21)27)11-25-18-34-26(17-33(25)31)12-24-14-30-22(16-32(24)34)10-20-6-2-4-8-28(20)30/h1-8,13-18H,9-12H2.
What are the key properties of nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene?
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene has a molecular weight of 430.55 g/mol, XLogP of 7.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene is sourced from PubChem (CID 59863436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).