1-bromo-2-phenylbenzene;9,15-dibromo-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-one;9,15-dibromo-12-(2-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-ol;methane

C71H43Br5O4 — CID 158302770

IUPAC1-bromo-2-phenylbenzene;9,15-dibromo-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-one;9,15-dibromo-12-(2-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-ol;methane
SMILESBrc1ccccc1-c1ccccc1.C.O=C1c2cc(Br)c3ccccc3c2-c2c1cc(Br)c1c2oc2ccccc21.OC1(c2ccccc2-c2ccccc2)c2cc(Br)c3ccccc3c2-c2c1cc(Br)c1c2oc2ccccc21
InChIInChI=1S/C35H20Br2O2.C23H10Br2O2.C12H9Br.CH4/c36-28-18-26-31(23-14-5-4-13-22(23)28)33-27(19-29(37)32-24-15-7-9-17-30(24)39-34(32)33)35(26,38)25-16-8-6-12-21(25)20-10-2-1-3-11-20;24-16-9-14-19(12-6-2-1-5-11(12)16)21-15(22(14)26)10-17(25)20-13-7-3-4-8-18(13)27-23(20)21;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-19,38H;1-10H;1-9H;1H4
InChIKeyGMRUHVVBGAPWHD-UHFFFAOYSA-N
MW1359.64 g/mol
LogP22.42
Rot. Bonds3

About 1-bromo-2-phenylbenzene;9,15-dibromo-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-one;9,15-dibromo-12-(2-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-ol;methane

1-bromo-2-phenylbenzene;9,15-dibromo-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-one;9,15-dibromo-12-(2-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-ol;methane (PubChem CID 158302770) has the molecular formula C71H43Br5O4 and a molecular weight of 1359.64 g/mol. Its IUPAC name is 1-bromo-2-phenylbenzene;9,15-dibromo-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-one;9,15-dibromo-12-(2-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-ol;methane.

Molecular Properties

Compound Name1-bromo-2-phenylbenzene;9,15-dibromo-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-one;9,15-dibromo-12-(2-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-ol;methane
PubChem CID158302770
Molecular FormulaC71H43Br5O4
Molecular Weight1359.64 g/mol
Exact Mass1353.91
IUPAC Name1-bromo-2-phenylbenzene;9,15-dibromo-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-one;9,15-dibromo-12-(2-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-ol;methane
SMILESBrc1ccccc1-c1ccccc1.C.O=C1c2cc(Br)c3ccccc3c2-c2c1cc(Br)c1c2oc2ccccc21.OC1(c2ccccc2-c2ccccc2)c2cc(Br)c3ccccc3c2-c2c1cc(Br)c1c2oc2ccccc21
InChIInChI=1S/C35H20Br2O2.C23H10Br2O2.C12H9Br.CH4/c36-28-18-26-31(23-14-5-4-13-22(23)28)33-27(19-29(37)32-24-15-7-9-17-30(24)39-34(32)33)35(26,38)25-16-8-6-12-21(25)20-10-2-1-3-11-20;24-16-9-14-19(12-6-2-1-5-11(12)16)21-15(22(14)26)10-17(25)20-13-7-3-4-8-18(13)27-23(20)21;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-19,38H;1-10H;1-9H;1H4
InChIKeyGMRUHVVBGAPWHD-UHFFFAOYSA-N
XLogP22.42
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001359.64
LogP ≤ 522.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-bromo-2-phenylbenzene;9,15-dibromo-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-one;9,15-dibromo-12-(2-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-ol;methane with MolForge

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Related Compounds

1-bromo-2-phenylbenzene;12,18-dibromo-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-dodecaen-15-one;12,18-dibromo-15-(2-phenylphenyl)-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-dodecaen-15-ol
CID 157433927
1-bromo-2-phenylbenzene;5,9-dibromobenzo[c]fluoren-7-one;5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol;5,9-dibromospiro[benzo[c]fluorene-7,9'-fluorene];methane;prop-1-yne
CID 159840836
5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol
CID 159840837
9,15-bis(N-(4-tert-butylphenyl)-4-phenylanilino)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-one;9,15-bis(N-(4-tert-butylphenyl)-4-phenylanilino)-12-(2-phenothiazin-10-ylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-ol;10-(2-bromophenyl)phenothiazine
CID 158965669
5-bromo-7,7-dimethylfluoreno[4,3-b][1]benzofuran;7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 157381043
lithium;acetic acid;anthracene-9,10-dione;9,10-bis(naphtho[1,2-b][1]benzofuran-5-yl)anthracene-9,10-diol;5-bromonaphtho[1,2-b][1]benzofuran;butane;5-(10-naphtho[1,2-b][1]benzofuran-5-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 158344710
5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 122634674
12,18-dibromo-15-(2-phenylphenyl)-4-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-2,5,7,9,11,13,17,19(27),20,22,24-undecaen-15-ol
CID 147819042
16,30-dibromo-22-oxaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.023,28]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,20,23,25,27,29-pentadecaene
CID 137101997
17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol
CID 89216058
1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran
CID 168795933
11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463559

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-phenylbenzene;9,15-dibromo-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-one;9,15-dibromo-12-(2-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-ol;methane?
The IUPAC name of 1-bromo-2-phenylbenzene;9,15-dibromo-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-one;9,15-dibromo-12-(2-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-ol;methane (CID 158302770) is 1-bromo-2-phenylbenzene;9,15-dibromo-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-one;9,15-dibromo-12-(2-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-ol;methane.
What is the SMILES notation for 1-bromo-2-phenylbenzene;9,15-dibromo-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-one;9,15-dibromo-12-(2-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-ol;methane?
The canonical SMILES for 1-bromo-2-phenylbenzene;9,15-dibromo-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-one;9,15-dibromo-12-(2-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-ol;methane is Brc1ccccc1-c1ccccc1.C.O=C1c2cc(Br)c3ccccc3c2-c2c1cc(Br)c1c2oc2ccccc21.OC1(c2ccccc2-c2ccccc2)c2cc(Br)c3ccccc3c2-c2c1cc(Br)c1c2oc2ccccc21.
What is the InChIKey of 1-bromo-2-phenylbenzene;9,15-dibromo-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-one;9,15-dibromo-12-(2-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-ol;methane?
The InChIKey is GMRUHVVBGAPWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20Br2O2.C23H10Br2O2.C12H9Br.CH4/c36-28-18-26-31(23-14-5-4-13-22(23)28)33-27(19-29(37)32-24-15-7-9-17-30(24)39-34(32)33)35(26,38)25-16-8-6-12-21(25)20-10-2-1-3-11-20;24-16-9-14-19(12-6-2-1-5-11(12)16)21-15(22(14)26)10-17(25)20-13-7-3-4-8-18(13)27-23(20)21;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-19,38H;1-10H;1-9H;1H4.
What are the key properties of 1-bromo-2-phenylbenzene;9,15-dibromo-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-one;9,15-dibromo-12-(2-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-ol;methane?
1-bromo-2-phenylbenzene;9,15-dibromo-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-one;9,15-dibromo-12-(2-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-ol;methane has a molecular weight of 1359.64 g/mol, XLogP of 22.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-phenylbenzene;9,15-dibromo-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-one;9,15-dibromo-12-(2-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-ol;methane is sourced from PubChem (CID 158302770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).