17-(9,9-dimethylfluoren-2-yl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene

C44H30O — CID 146578633

IUPAC17-(9,9-dimethylfluoren-2-yl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene
SMILESCC1(C)c2ccccc2-c2ccc(C3c4c(c5ccccc5c5ccccc45)Oc4c3c3ccccc3c3ccccc43)cc21
InChIInChI=1S/C44H30O/c1-44(2)37-22-12-11-17-31(37)32-24-23-26(25-38(32)44)39-40-33-18-7-3-13-27(33)29-15-5-9-20-35(29)42(40)45-43-36-21-10-6-16-30(36)28-14-4-8-19-34(28)41(39)43/h3-25,39H,1-2H3
InChIKeyRBCUUBCLOHSSOB-UHFFFAOYSA-N
MW574.72 g/mol
LogP11.89
Rot. Bonds1

About 17-(9,9-dimethylfluoren-2-yl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene

17-(9,9-dimethylfluoren-2-yl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene (PubChem CID 146578633) has the molecular formula C44H30O and a molecular weight of 574.72 g/mol. Its IUPAC name is 17-(9,9-dimethylfluoren-2-yl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene.

Molecular Properties

Compound Name17-(9,9-dimethylfluoren-2-yl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene
PubChem CID146578633
Molecular FormulaC44H30O
Molecular Weight574.72 g/mol
Exact Mass574.23
IUPAC Name17-(9,9-dimethylfluoren-2-yl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene
SMILESCC1(C)c2ccccc2-c2ccc(C3c4c(c5ccccc5c5ccccc45)Oc4c3c3ccccc3c3ccccc43)cc21
InChIInChI=1S/C44H30O/c1-44(2)37-22-12-11-17-31(37)32-24-23-26(25-38(32)44)39-40-33-18-7-3-13-27(33)29-15-5-9-20-35(29)42(40)45-43-36-21-10-6-16-30(36)28-14-4-8-19-34(28)41(39)43/h3-25,39H,1-2H3
InChIKeyRBCUUBCLOHSSOB-UHFFFAOYSA-N
XLogP11.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.72
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17-(9,9-dimethylfluoren-2-yl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 17-(9,9-dimethylfluoren-2-yl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene?
The IUPAC name of 17-(9,9-dimethylfluoren-2-yl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene (CID 146578633) is 17-(9,9-dimethylfluoren-2-yl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene.
What is the SMILES notation for 17-(9,9-dimethylfluoren-2-yl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene?
The canonical SMILES for 17-(9,9-dimethylfluoren-2-yl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene is CC1(C)c2ccccc2-c2ccc(C3c4c(c5ccccc5c5ccccc45)Oc4c3c3ccccc3c3ccccc43)cc21.
What is the InChIKey of 17-(9,9-dimethylfluoren-2-yl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene?
The InChIKey is RBCUUBCLOHSSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30O/c1-44(2)37-22-12-11-17-31(37)32-24-23-26(25-38(32)44)39-40-33-18-7-3-13-27(33)29-15-5-9-20-35(29)42(40)45-43-36-21-10-6-16-30(36)28-14-4-8-19-34(28)41(39)43/h3-25,39H,1-2H3.
What are the key properties of 17-(9,9-dimethylfluoren-2-yl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene?
17-(9,9-dimethylfluoren-2-yl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene has a molecular weight of 574.72 g/mol, XLogP of 11.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(9,9-dimethylfluoren-2-yl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene is sourced from PubChem (CID 146578633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).