2'-bromo-1,1-bis(4-bromophenyl)spiro[cyclohexane-4,9'-fluorene]

C30H23Br3 — CID 89459013

IUPAC2'-bromo-1,1-bis(4-bromophenyl)spiro[cyclohexane-4,9'-fluorene]
SMILESBrc1ccc(C2(c3ccc(Br)cc3)CCC3(CC2)c2ccccc2-c2ccc(Br)cc23)cc1
InChIInChI=1S/C30H23Br3/c31-22-9-5-20(6-10-22)29(21-7-11-23(32)12-8-21)15-17-30(18-16-29)27-4-2-1-3-25(27)26-14-13-24(33)19-28(26)30/h1-14,19H,15-18H2
InChIKeyLRXUEXBARAXBNN-UHFFFAOYSA-N
MW623.23 g/mol
LogP9.80
Rot. Bonds2

About 2'-bromo-1,1-bis(4-bromophenyl)spiro[cyclohexane-4,9'-fluorene]

2'-bromo-1,1-bis(4-bromophenyl)spiro[cyclohexane-4,9'-fluorene] (PubChem CID 89459013) has the molecular formula C30H23Br3 and a molecular weight of 623.23 g/mol. Its IUPAC name is 2'-bromo-1,1-bis(4-bromophenyl)spiro[cyclohexane-4,9'-fluorene].

Molecular Properties

Compound Name2'-bromo-1,1-bis(4-bromophenyl)spiro[cyclohexane-4,9'-fluorene]
PubChem CID89459013
Molecular FormulaC30H23Br3
Molecular Weight623.23 g/mol
Exact Mass619.93
IUPAC Name2'-bromo-1,1-bis(4-bromophenyl)spiro[cyclohexane-4,9'-fluorene]
SMILESBrc1ccc(C2(c3ccc(Br)cc3)CCC3(CC2)c2ccccc2-c2ccc(Br)cc23)cc1
InChIInChI=1S/C30H23Br3/c31-22-9-5-20(6-10-22)29(21-7-11-23(32)12-8-21)15-17-30(18-16-29)27-4-2-1-3-25(27)26-14-13-24(33)19-28(26)30/h1-14,19H,15-18H2
InChIKeyLRXUEXBARAXBNN-UHFFFAOYSA-N
XLogP9.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.23
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2'-bromo-1,1-bis(4-bromophenyl)spiro[cyclohexane-4,9'-fluorene] with MolForge

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Related Compounds

2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
10',11',17'-tribromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 130268416
10-methylidenespiro[anthracene-9,1'-cyclopropane]
CID 12648503
1-bromo-4-(1-phenylcyclohexyl)benzene
CID 163634651
4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
3-bromo-9,10-bis(4-methylphenyl)phenanthrene-9,10-diol
CID 142739230
2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene
CID 118245876
4,11-dibromopentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene
CID 22278002
2-bromo-7-methylspiro[fluorene-9,4'-piperidine]
CID 122492124
2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene
CID 177098978
5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene]
CID 134238107

Frequently Asked Questions

What is the IUPAC name of 2'-bromo-1,1-bis(4-bromophenyl)spiro[cyclohexane-4,9'-fluorene]?
The IUPAC name of 2'-bromo-1,1-bis(4-bromophenyl)spiro[cyclohexane-4,9'-fluorene] (CID 89459013) is 2'-bromo-1,1-bis(4-bromophenyl)spiro[cyclohexane-4,9'-fluorene].
What is the SMILES notation for 2'-bromo-1,1-bis(4-bromophenyl)spiro[cyclohexane-4,9'-fluorene]?
The canonical SMILES for 2'-bromo-1,1-bis(4-bromophenyl)spiro[cyclohexane-4,9'-fluorene] is Brc1ccc(C2(c3ccc(Br)cc3)CCC3(CC2)c2ccccc2-c2ccc(Br)cc23)cc1.
What is the InChIKey of 2'-bromo-1,1-bis(4-bromophenyl)spiro[cyclohexane-4,9'-fluorene]?
The InChIKey is LRXUEXBARAXBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23Br3/c31-22-9-5-20(6-10-22)29(21-7-11-23(32)12-8-21)15-17-30(18-16-29)27-4-2-1-3-25(27)26-14-13-24(33)19-28(26)30/h1-14,19H,15-18H2.
What are the key properties of 2'-bromo-1,1-bis(4-bromophenyl)spiro[cyclohexane-4,9'-fluorene]?
2'-bromo-1,1-bis(4-bromophenyl)spiro[cyclohexane-4,9'-fluorene] has a molecular weight of 623.23 g/mol, XLogP of 9.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-bromo-1,1-bis(4-bromophenyl)spiro[cyclohexane-4,9'-fluorene] is sourced from PubChem (CID 89459013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).