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]

C31H17Br3 — CID 130268416

IUPAC10',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]
SMILESBrc1ccc2c(c1)C1(c3cc(Br)c(Br)cc3-c3ccccc3-2)c2ccccc2-c2ccccc21
InChIInChI=1S/C31H17Br3/c32-18-13-14-23-19-7-1-2-8-20(19)24-16-29(33)30(34)17-28(24)31(27(23)15-18)25-11-5-3-9-21(25)22-10-4-6-12-26(22)31/h1-17H
InChIKeyFPTHNXFJVYQINB-UHFFFAOYSA-N
MW629.19 g/mol
LogP9.98
Rot. Bonds

About 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]

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] (PubChem CID 130268416) has the molecular formula C31H17Br3 and a molecular weight of 629.19 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name10',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]
PubChem CID130268416
Molecular FormulaC31H17Br3
Molecular Weight629.19 g/mol
Exact Mass625.89
IUPAC Name10',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]
SMILESBrc1ccc2c(c1)C1(c3cc(Br)c(Br)cc3-c3ccccc3-2)c2ccccc2-c2ccccc21
InChIInChI=1S/C31H17Br3/c32-18-13-14-23-19-7-1-2-8-20(19)24-16-29(33)30(34)17-28(24)31(27(23)15-18)25-11-5-3-9-21(25)22-10-4-6-12-26(22)31/h1-17H
InChIKeyFPTHNXFJVYQINB-UHFFFAOYSA-N
XLogP9.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.19
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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] with MolForge

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Related Compounds

2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene]
CID 168791383
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
CID 142567718
2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile
CID 118260232
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
2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene
CID 177098978
11'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 130463583
4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862
2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene
CID 118245876
9'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];11'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];11'-bromo-17'-methylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene];17'-bromo-10'-methylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]
CID 158023703
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is Brc1ccc2c(c1)C1(c3cc(Br)c(Br)cc3-c3ccccc3-2)c2ccccc2-c2ccccc21.
What is the InChIKey of 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]?
The InChIKey is FPTHNXFJVYQINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H17Br3/c32-18-13-14-23-19-7-1-2-8-20(19)24-16-29(33)30(34)17-28(24)31(27(23)15-18)25-11-5-3-9-21(25)22-10-4-6-12-26(22)31/h1-17H.
What are the key properties of 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]?
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] has a molecular weight of 629.19 g/mol, XLogP of 9.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 130268416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).