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

C38H24Br2O — CID 59642876

IUPAC15,17-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
SMILESBrc1ccc2c3c(ccc(Br)c13)C1C2C2(c3ccccc3)OC1(c1ccccc1-c1ccccc1)c1ccccc12
InChIInChI=1S/C38H24Br2O/c39-31-21-19-26-33-27(20-22-32(40)34(31)33)36-35(26)37(24-13-5-2-6-14-24)29-17-9-10-18-30(29)38(36,41-37)28-16-8-7-15-25(28)23-11-3-1-4-12-23/h1-22,35-36H
InChIKeyUQHIKFOYKBYUAS-UHFFFAOYSA-N
MW656.42 g/mol
LogP10.44
Rot. Bonds3

About 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

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 (PubChem CID 59642876) has the molecular formula C38H24Br2O and a molecular weight of 656.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15,17-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
PubChem CID59642876
Molecular FormulaC38H24Br2O
Molecular Weight656.42 g/mol
Exact Mass654.02
IUPAC Name15,17-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
SMILESBrc1ccc2c3c(ccc(Br)c13)C1C2C2(c3ccccc3)OC1(c1ccccc1-c1ccccc1)c1ccccc12
InChIInChI=1S/C38H24Br2O/c39-31-21-19-26-33-27(20-22-32(40)34(31)33)36-35(26)37(24-13-5-2-6-14-24)29-17-9-10-18-30(29)38(36,41-37)28-16-8-7-15-25(28)23-11-3-1-4-12-23/h1-22,35-36H
InChIKeyUQHIKFOYKBYUAS-UHFFFAOYSA-N
XLogP10.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.42
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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CID 138971686
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
CID 23534483
2-Bromo-1-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-yl]phenanthrene
CID 57858770
2-Bromo-1-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-yl]anthracene
CID 57858931
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-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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccc2c3c(ccc(Br)c13)C1C2C2(c3ccccc3)OC1(c1ccccc1-c1ccccc1)c1ccccc12.
What is the InChIKey of 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?
The InChIKey is UQHIKFOYKBYUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24Br2O/c39-31-21-19-26-33-27(20-22-32(40)34(31)33)36-35(26)37(24-13-5-2-6-14-24)29-17-9-10-18-30(29)38(36,41-37)28-16-8-7-15-25(28)23-11-3-1-4-12-23/h1-22,35-36H.
What are the key properties of 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?
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 has a molecular weight of 656.42 g/mol, XLogP of 10.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59642876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).