10'-bromo-10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];4',11-dibromo-17-methylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene];4',10-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene];4',11-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]

C134H83Br7O4 — CID 159532918

About 10'-bromo-10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];4',11-dibromo-17-methylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene];4',10-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene];4',11-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]

10'-bromo-10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];4',11-dibromo-17-methylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene];4',10-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene];4',11-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene] (PubChem CID 159532918) has the molecular formula C134H83Br7O4 and a molecular weight of 2316.46 g/mol. Its IUPAC name is 10'-bromo-10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];4',11-dibromo-17-methylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene];4',10-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene];4',11-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene].

Molecular Properties

• Compound Name: 10'-bromo-10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];4',11-dibromo-17-methylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene];4',10-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene];4',11-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]
• PubChem CID: 159532918
• Molecular Formula: C134H83Br7O4
• Molecular Weight: 2316.46 g/mol
• Exact Mass: 2308.06
• IUPAC Name: 10'-bromo-10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];4',11-dibromo-17-methylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene];4',10-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene];4',11-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]
• SMILES: Brc1ccc2c(c1)-c1ccccc1-c1ccccc1C21c2ccccc2Oc2c(Br)cccc21.Brc1ccc2c(c1)C1(c3ccccc3Oc3c(Br)cccc31)c1ccccc1-c1ccccc1-2.CC1(C)c2ccccc2-c2cc3c(cc21)Oc1ccccc1C31c2ccccc2-c2ccccc2-c2cc(Br)ccc21.Cc1ccc2c(c1)C1(c3ccccc3Oc3c(Br)cccc31)c1cc(Br)ccc1-c1ccccc1-2
• InChI: InChI=1S/C40H27BrO.C32H20Br2O.2C31H18Br2O/c1-39(2)31-15-7-5-14-28(31)30-22-36-38(23-35(30)39)42-37-18-10-9-17-34(37)40(36)32-16-8-6-13-27(32)25-11-3-4-12-26(25)29-21-24(41)19-20-33(29)40;1-19-13-15-23-21-7-2-3-8-22(21)24-16-14-20(33)18-28(24)32(27(23)17-19)25-9-4-5-12-30(25)35-31-26(32)10-6-11-29(31)34;32-19-16-17-25-23(18-19)21-9-2-1-8-20(21)22-10-3-4-11-24(22)31(25)26-12-5-6-15-29(26)34-30-27(31)13-7-14-28(30)33;32-19-16-17-23-21-9-2-1-8-20(21)22-10-3-4-11-24(22)31(27(23)18-19)25-12-5-6-15-29(25)34-30-26(31)13-7-14-28(30)33/h3-23H,1-2H3;2-18H,1H3;2*1-18H
• InChIKey: MDFNHQYDPUOSTK-UHFFFAOYSA-N
• XLogP: 39.24
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2316.46
LogP ≤ 5	39.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10'-bromo-10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];4',11-dibromo-17-methylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene];4',10-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene];4',11-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]?

The IUPAC name of 10'-bromo-10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];4',11-dibromo-17-methylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene];4',10-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene];4',11-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene] (CID 159532918) is 10'-bromo-10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];4',11-dibromo-17-methylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene];4',10-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene];4',11-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene].

What is the SMILES notation for 10'-bromo-10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];4',11-dibromo-17-methylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene];4',10-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene];4',11-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]?

The canonical SMILES for 10'-bromo-10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];4',11-dibromo-17-methylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene];4',10-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene];4',11-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene] is Brc1ccc2c(c1)-c1ccccc1-c1ccccc1C21c2ccccc2Oc2c(Br)cccc21.Brc1ccc2c(c1)C1(c3ccccc3Oc3c(Br)cccc31)c1ccccc1-c1ccccc1-2.CC1(C)c2ccccc2-c2cc3c(cc21)Oc1ccccc1C31c2ccccc2-c2ccccc2-c2cc(Br)ccc21.Cc1ccc2c(c1)C1(c3ccccc3Oc3c(Br)cccc31)c1cc(Br)ccc1-c1ccccc1-2.

What is the InChIKey of 10'-bromo-10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];4',11-dibromo-17-methylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene];4',10-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene];4',11-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]?

The InChIKey is MDFNHQYDPUOSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27BrO.C32H20Br2O.2C31H18Br2O/c1-39(2)31-15-7-5-14-28(31)30-22-36-38(23-35(30)39)42-37-18-10-9-17-34(37)40(36)32-16-8-6-13-27(32)25-11-3-4-12-26(25)29-21-24(41)19-20-33(29)40;1-19-13-15-23-21-7-2-3-8-22(21)24-16-14-20(33)18-28(24)32(27(23)17-19)25-9-4-5-12-30(25)35-31-26(32)10-6-11-29(31)34;32-19-16-17-25-23(18-19)21-9-2-1-8-20(21)22-10-3-4-11-24(22)31(25)26-12-5-6-15-29(26)34-30-27(31)13-7-14-28(30)33;32-19-16-17-23-21-9-2-1-8-20(21)22-10-3-4-11-24(22)31(27(23)18-19)25-12-5-6-15-29(25)34-30-26(31)13-7-14-28(30)33/h3-23H,1-2H3;2-18H,1H3;2*1-18H.

What are the key properties of 10'-bromo-10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];4',11-dibromo-17-methylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene];4',10-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene];4',11-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]?

10'-bromo-10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];4',11-dibromo-17-methylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene];4',10-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene];4',11-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene] has a molecular weight of 2316.46 g/mol, XLogP of 39.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10'-bromo-10,10-dimethylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];4',11-dibromo-17-methylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene];4',10-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene];4',11-dibromospiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene] is sourced from PubChem (CID 159532918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).