1-bromo-2-phenylbenzene;3-chlorohexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-11-one;3'-chlorospiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene];methane

C71H43BrCl2O — CID 167608392

IUPAC1-bromo-2-phenylbenzene;3-chlorohexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-11-one;3'-chlorospiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene];methane
SMILESBrc1ccccc1-c1ccccc1.C.Clc1c2c(cc3c1-c1ccccc1C31c3ccccc3-c3ccccc31)-c1cccc3cccc-2c13.O=C1c2ccccc2-c2c1cc1c(c2Cl)-c2cccc3cccc-1c23
InChIInChI=1S/C35H19Cl.C23H11ClO.C12H9Br.CH4/c36-34-32-25-15-8-10-20-9-7-14-23(31(20)25)26(32)19-30-33(34)24-13-3-6-18-29(24)35(30)27-16-4-1-11-21(27)22-12-2-5-17-28(22)35;24-22-20-13-7-1-2-8-15(13)23(25)18(20)11-17-14-9-3-5-12-6-4-10-16(19(12)14)21(17)22;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-19H;1-11H;1-9H;1H4
InChIKeyKRUXSHNSEDLPKD-UHFFFAOYSA-N
MW1062.93 g/mol
LogP20.59
Rot. Bonds1

About 1-bromo-2-phenylbenzene;3-chlorohexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-11-one;3'-chlorospiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene];methane

1-bromo-2-phenylbenzene;3-chlorohexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-11-one;3'-chlorospiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene];methane (PubChem CID 167608392) has the molecular formula C71H43BrCl2O and a molecular weight of 1062.93 g/mol. Its IUPAC name is 1-bromo-2-phenylbenzene;3-chlorohexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-11-one;3'-chlorospiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene];methane.

Molecular Properties

Compound Name1-bromo-2-phenylbenzene;3-chlorohexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-11-one;3'-chlorospiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene];methane
PubChem CID167608392
Molecular FormulaC71H43BrCl2O
Molecular Weight1062.93 g/mol
Exact Mass1060.19
IUPAC Name1-bromo-2-phenylbenzene;3-chlorohexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-11-one;3'-chlorospiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene];methane
SMILESBrc1ccccc1-c1ccccc1.C.Clc1c2c(cc3c1-c1ccccc1C31c3ccccc3-c3ccccc31)-c1cccc3cccc-2c13.O=C1c2ccccc2-c2c1cc1c(c2Cl)-c2cccc3cccc-1c23
InChIInChI=1S/C35H19Cl.C23H11ClO.C12H9Br.CH4/c36-34-32-25-15-8-10-20-9-7-14-23(31(20)25)26(32)19-30-33(34)24-13-3-6-18-29(24)35(30)27-16-4-1-11-21(27)22-12-2-5-17-28(22)35;24-22-20-13-7-1-2-8-15(13)23(25)18(20)11-17-14-9-3-5-12-6-4-10-16(19(12)14)21(17)22;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-19H;1-11H;1-9H;1H4
InChIKeyKRUXSHNSEDLPKD-UHFFFAOYSA-N
XLogP20.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001062.93
LogP ≤ 520.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-2-phenylbenzene;3-chlorohexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-11-one;3'-chlorospiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene];methane with MolForge

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Related Compounds

1-bromofluoren-9-one;1-bromo-2-phenylbenzene;1-bromo-9,9'-spirobi[fluorene]
CID 158426402
2',7'-bis(7,10-diphenylfluoranthen-8-yl)-9,9'-spirobi[fluorene]
CID 86040255
2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine
CID 166026039
4-phenyl-2-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinazoline
CID 166026093
5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 101471754
4'-bromo-2'-chloro-9,9'-spirobi[fluorene]
CID 155003673
1-phenylbenzo[b]phenalen-7-one
CID 12547034
3-[3-[3-(3-pyridin-3-ylphenyl)-5-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylphenyl]phenyl]pyridine
CID 166026078
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
7'-(2-phenylnaphthalen-1-yl)spiro[fluorene-9,24'-heptacyclo[14.10.1.02,11.04,9.012,27.017,25.018,23]heptacosa-1(26),2(11),3,5,7,9,12,14,16(27),17(25),18,20,22-tridecaene]
CID 123549000
8-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylquinoline
CID 166026095
3-pyridin-4-yl-5-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylpyridine
CID 166026055

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-phenylbenzene;3-chlorohexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-11-one;3'-chlorospiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene];methane?
The IUPAC name of 1-bromo-2-phenylbenzene;3-chlorohexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-11-one;3'-chlorospiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene];methane (CID 167608392) is 1-bromo-2-phenylbenzene;3-chlorohexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-11-one;3'-chlorospiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene];methane.
What is the SMILES notation for 1-bromo-2-phenylbenzene;3-chlorohexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-11-one;3'-chlorospiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene];methane?
The canonical SMILES for 1-bromo-2-phenylbenzene;3-chlorohexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-11-one;3'-chlorospiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene];methane is Brc1ccccc1-c1ccccc1.C.Clc1c2c(cc3c1-c1ccccc1C31c3ccccc3-c3ccccc31)-c1cccc3cccc-2c13.O=C1c2ccccc2-c2c1cc1c(c2Cl)-c2cccc3cccc-1c23.
What is the InChIKey of 1-bromo-2-phenylbenzene;3-chlorohexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-11-one;3'-chlorospiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene];methane?
The InChIKey is KRUXSHNSEDLPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19Cl.C23H11ClO.C12H9Br.CH4/c36-34-32-25-15-8-10-20-9-7-14-23(31(20)25)26(32)19-30-33(34)24-13-3-6-18-29(24)35(30)27-16-4-1-11-21(27)22-12-2-5-17-28(22)35;24-22-20-13-7-1-2-8-15(13)23(25)18(20)11-17-14-9-3-5-12-6-4-10-16(19(12)14)21(17)22;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-19H;1-11H;1-9H;1H4.
What are the key properties of 1-bromo-2-phenylbenzene;3-chlorohexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-11-one;3'-chlorospiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene];methane?
1-bromo-2-phenylbenzene;3-chlorohexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-11-one;3'-chlorospiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene];methane has a molecular weight of 1062.93 g/mol, XLogP of 20.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-phenylbenzene;3-chlorohexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-11-one;3'-chlorospiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene];methane is sourced from PubChem (CID 167608392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).