15-bromo-10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene

C32H20Br2O — CID 59538670

IUPAC15-bromo-10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene
SMILESBrc1ccc(C23OC(c4ccccc4)(c4ccccc42)C2c4cccc5c(Br)ccc(c45)C23)cc1
InChIInChI=1S/C32H20Br2O/c33-21-15-13-20(14-16-21)32-26-12-5-4-11-25(26)31(35-32,19-7-2-1-3-8-19)29-23-10-6-9-22-27(34)18-17-24(28(22)23)30(29)32/h1-18,29-30H
InChIKeyWJHONUDDQSEWBY-UHFFFAOYSA-N
MW580.32 g/mol
LogP8.78
Rot. Bonds2

About 15-bromo-10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene

15-bromo-10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene (PubChem CID 59538670) has the molecular formula C32H20Br2O and a molecular weight of 580.32 g/mol. Its IUPAC name is 15-bromo-10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene.

Molecular Properties

Compound Name15-bromo-10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene
PubChem CID59538670
Molecular FormulaC32H20Br2O
Molecular Weight580.32 g/mol
Exact Mass577.99
IUPAC Name15-bromo-10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene
SMILESBrc1ccc(C23OC(c4ccccc4)(c4ccccc42)C2c4cccc5c(Br)ccc(c45)C23)cc1
InChIInChI=1S/C32H20Br2O/c33-21-15-13-20(14-16-21)32-26-12-5-4-11-25(26)31(35-32,19-7-2-1-3-8-19)29-23-10-6-9-22-27(34)18-17-24(28(22)23)30(29)32/h1-18,29-30H
InChIKeyWJHONUDDQSEWBY-UHFFFAOYSA-N
XLogP8.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.32
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 15-bromo-10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene with MolForge

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Related Compounds

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6,7-Dibromo-25-oxaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4,6,8,13,15,17,19,21,23-nonaene
CID 4570823
3,10-Diphenyl-21-oxahexacyclo[10.7.1.1~3,10~.0~2,11~.0~4,9~.0~16,20~]henicosa-1(20),4,6,8,12,14,16,18-octaene
CID 11834974
1,17-Diphenyl-29-oxanonacyclo[15.11.1.15,9.119,23.02,16.04,14.018,28.013,31.027,30]hentriaconta-2(16),3,5,7,9(31),10,12,14,19,21,23(30),24,26-tridecaene
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CID 57858770
2-Bromo-1-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-yl]anthracene
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10-(4-Bromophenyl)-15-[10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaen-15-yl]-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene
CID 59538651
3,10-Bis(4-bromophenyl)-15-naphthalen-2-yl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene
CID 59538659
10-(4-Bromophenyl)-15-[4-[10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaen-15-yl]phenyl]-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene
CID 59538660
15,17-Dibromo-3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(20),4,6,8,12,14,16,18-octaene
CID 59642564
15,17-Dibromo-3-naphthalen-2-yl-10-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene
CID 59642820
15,17-Dibromo-3-phenyl-10-(2-phenylphenyl)-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(20),4,6,8,12,14,16,18-octaene
CID 59642876

Frequently Asked Questions

What is the IUPAC name of 15-bromo-10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene?
The IUPAC name of 15-bromo-10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene (CID 59538670) is 15-bromo-10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene.
What is the SMILES notation for 15-bromo-10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene?
The canonical SMILES for 15-bromo-10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene is Brc1ccc(C23OC(c4ccccc4)(c4ccccc42)C2c4cccc5c(Br)ccc(c45)C23)cc1.
What is the InChIKey of 15-bromo-10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene?
The InChIKey is WJHONUDDQSEWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20Br2O/c33-21-15-13-20(14-16-21)32-26-12-5-4-11-25(26)31(35-32,19-7-2-1-3-8-19)29-23-10-6-9-22-27(34)18-17-24(28(22)23)30(29)32/h1-18,29-30H.
What are the key properties of 15-bromo-10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene?
15-bromo-10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene has a molecular weight of 580.32 g/mol, XLogP of 8.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-bromo-10-(4-bromophenyl)-3-phenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4,6,8,12(20),13,15,17-octaene is sourced from PubChem (CID 59538670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).