2,7-dibromospiro[3,4-dihydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]

C35H20Br2 — CID 126712796

IUPAC2,7-dibromospiro[3,4-dihydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
SMILESBrC1=CC2=C(CC1)c1ccc(Br)cc1C21c2ccccc2-c2c1cc1c3c(cccc23)-c2ccccc2-1
InChIInChI=1S/C35H20Br2/c36-19-12-14-23-24-15-13-20(37)17-31(24)35(30(23)16-19)29-11-4-3-8-26(29)34-27-10-5-9-25-21-6-1-2-7-22(21)28(33(25)27)18-32(34)35/h1-12,14,16-18H,13,15H2
InChIKeyICJVSMITOGGOTM-UHFFFAOYSA-N
MW600.35 g/mol
LogP10.40
Rot. Bonds

About 2,7-dibromospiro[3,4-dihydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]

2,7-dibromospiro[3,4-dihydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene] (PubChem CID 126712796) has the molecular formula C35H20Br2 and a molecular weight of 600.35 g/mol. Its IUPAC name is 2,7-dibromospiro[3,4-dihydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene].

Molecular Properties

Compound Name2,7-dibromospiro[3,4-dihydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
PubChem CID126712796
Molecular FormulaC35H20Br2
Molecular Weight600.35 g/mol
Exact Mass597.99
IUPAC Name2,7-dibromospiro[3,4-dihydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
SMILESBrC1=CC2=C(CC1)c1ccc(Br)cc1C21c2ccccc2-c2c1cc1c3c(cccc23)-c2ccccc2-1
InChIInChI=1S/C35H20Br2/c36-19-12-14-23-24-15-13-20(37)17-31(24)35(30(23)16-19)29-11-4-3-8-26(29)34-27-10-5-9-25-21-6-1-2-7-22(21)28(33(25)27)18-32(34)35/h1-12,14,16-18H,13,15H2
InChIKeyICJVSMITOGGOTM-UHFFFAOYSA-N
XLogP10.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.35
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,7-dibromospiro[3,4-dihydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene] with MolForge

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Related Compounds

spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
CID 58390351
CID 134272960
CID 134272960
2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yldibenzothiophene
CID 126712871
9-(4-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylphenyl)carbazole
CID 134528123
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-amine
CID 126712785
2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine
CID 134528161
2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine
CID 134194075
7-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylbenzo[c]carbazole
CID 134528115
16'-phenanthren-2-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaene]
CID 58390378
16'-phenanthren-1-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaene]
CID 58390390
2,4-bis[(Z)-(2'-bromospiro[14-azapentacyclo[10.6.1.02,7.08,19.013,17]nonadeca-1(18),2,4,6,8,10,12(19),13(17)-octaene-16,9'-fluorene]-15-ylidene)methyl]-3,5-dihydroxycyclopenta-2,4-dien-1-one
CID 145357869

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromospiro[3,4-dihydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]?
The IUPAC name of 2,7-dibromospiro[3,4-dihydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene] (CID 126712796) is 2,7-dibromospiro[3,4-dihydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene].
What is the SMILES notation for 2,7-dibromospiro[3,4-dihydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]?
The canonical SMILES for 2,7-dibromospiro[3,4-dihydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene] is BrC1=CC2=C(CC1)c1ccc(Br)cc1C21c2ccccc2-c2c1cc1c3c(cccc23)-c2ccccc2-1.
What is the InChIKey of 2,7-dibromospiro[3,4-dihydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]?
The InChIKey is ICJVSMITOGGOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20Br2/c36-19-12-14-23-24-15-13-20(37)17-31(24)35(30(23)16-19)29-11-4-3-8-26(29)34-27-10-5-9-25-21-6-1-2-7-22(21)28(33(25)27)18-32(34)35/h1-12,14,16-18H,13,15H2.
What are the key properties of 2,7-dibromospiro[3,4-dihydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]?
2,7-dibromospiro[3,4-dihydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene] has a molecular weight of 600.35 g/mol, XLogP of 10.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromospiro[3,4-dihydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene] is sourced from PubChem (CID 126712796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).