12,18-dibromospiro[10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]

C38H20Br2O — CID 145010498

IUPAC12,18-dibromospiro[10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]
SMILESBrc1cc2c(c3c1-c1ccccc1C3)-c1c(cc(Br)c3oc4ccccc4c13)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C38H20Br2O/c39-30-18-28-34(25-17-20-9-1-2-10-21(20)33(25)30)36-29(19-31(40)37-35(36)24-13-5-8-16-32(24)41-37)38(28)26-14-6-3-11-22(26)23-12-4-7-15-27(23)38/h1-16,18-19H,17H2
InChIKeyVVRVUPATEPLBNL-UHFFFAOYSA-N
MW652.39 g/mol
LogP11.03
Rot. Bonds

About 12,18-dibromospiro[10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]

12,18-dibromospiro[10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene] (PubChem CID 145010498) has the molecular formula C38H20Br2O and a molecular weight of 652.39 g/mol. Its IUPAC name is 12,18-dibromospiro[10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene].

Molecular Properties

Compound Name12,18-dibromospiro[10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]
PubChem CID145010498
Molecular FormulaC38H20Br2O
Molecular Weight652.39 g/mol
Exact Mass649.99
IUPAC Name12,18-dibromospiro[10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]
SMILESBrc1cc2c(c3c1-c1ccccc1C3)-c1c(cc(Br)c3oc4ccccc4c13)C21c2ccccc2-c2ccccc21
InChIInChI=1S/C38H20Br2O/c39-30-18-28-34(25-17-20-9-1-2-10-21(20)33(25)30)36-29(19-31(40)37-35(36)24-13-5-8-16-32(24)41-37)38(28)26-14-6-3-11-22(26)23-12-4-7-15-27(23)38/h1-16,18-19H,17H2
InChIKeyVVRVUPATEPLBNL-UHFFFAOYSA-N
XLogP11.03
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.39
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 12,18-dibromospiro[10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

12',18'-dibromospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,15'-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene]
CID 145430899
5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 122634674
12,18-dibromo-2',7'-dichlorospiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]
CID 138662248
N-spiro[9H-anthracene-10,9'-fluorene]-1-ylnaphtho[1,2-b][1]benzofuran-6-amine
CID 167343669
12-bromo-15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaene
CID 138569699
4-tert-butyl-N-(4-tert-butylphenyl)aniline;12,18-dibromospiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene];12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine
CID 160768217
CID 163784873
CID 163784873
2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine
CID 122627070
12,22-dibromo-15,15,19,19-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2,4,6,8,11,13,17,20(25),21,23,26-dodecaene
CID 142355697
4-(4-bromo-9-dibenzofuran-4-ylfluoren-9-yl)dibenzofuran
CID 142453719
7H-fluoreno[4,3-b][1]benzofuran
CID 122434421
CID 146436706
CID 146436706

Frequently Asked Questions

What is the IUPAC name of 12,18-dibromospiro[10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]?
The IUPAC name of 12,18-dibromospiro[10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene] (CID 145010498) is 12,18-dibromospiro[10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene].
What is the SMILES notation for 12,18-dibromospiro[10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]?
The canonical SMILES for 12,18-dibromospiro[10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene] is Brc1cc2c(c3c1-c1ccccc1C3)-c1c(cc(Br)c3oc4ccccc4c13)C21c2ccccc2-c2ccccc21.
What is the InChIKey of 12,18-dibromospiro[10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]?
The InChIKey is VVRVUPATEPLBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20Br2O/c39-30-18-28-34(25-17-20-9-1-2-10-21(20)33(25)30)36-29(19-31(40)37-35(36)24-13-5-8-16-32(24)41-37)38(28)26-14-6-3-11-22(26)23-12-4-7-15-27(23)38/h1-16,18-19H,17H2.
What are the key properties of 12,18-dibromospiro[10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]?
12,18-dibromospiro[10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene] has a molecular weight of 652.39 g/mol, XLogP of 11.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,18-dibromospiro[10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene] is sourced from PubChem (CID 145010498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).