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]

C35H27Br — CID 153288141

IUPAC9'-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]
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc3-c3c(Br)cccc31)c1ccccc1-2
InChIInChI=1S/C35H27Br/c1-34(2,3)22-19-20-26-25-13-7-9-16-29(25)35(31(26)21-22)28-15-8-6-12-24(28)23-11-4-5-14-27(23)33-30(35)17-10-18-32(33)36/h4-21H,1-3H3
InChIKeyBTNJMPSTPJWZER-UHFFFAOYSA-N
MW527.51 g/mol
LogP9.76
Rot. Bonds

About 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]

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] (PubChem CID 153288141) has the molecular formula C35H27Br and a molecular weight of 527.51 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name9'-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]
PubChem CID153288141
Molecular FormulaC35H27Br
Molecular Weight527.51 g/mol
Exact Mass526.13
IUPAC Name9'-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]
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc3-c3c(Br)cccc31)c1ccccc1-2
InChIInChI=1S/C35H27Br/c1-34(2,3)22-19-20-26-25-13-7-9-16-29(25)35(31(26)21-22)28-15-8-6-12-24(28)23-11-4-5-14-27(23)33-30(35)17-10-18-32(33)36/h4-21H,1-3H3
InChIKeyBTNJMPSTPJWZER-UHFFFAOYSA-N
XLogP9.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.51
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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] with MolForge

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Related Compounds

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-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692
CID 174069072
CID 174069072
2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
CID 151739192
5-bromo-2-ethyl-9,9'-spirobi[fluorene]
CID 142521287
3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536
4-bromospiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 134528270
CID 156687680
CID 156687680
4-bromo-4'-methyl-9,9'-spirobi[fluorene]
CID 123165749
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene]
CID 170180910

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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] (CID 153288141) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc3-c3c(Br)cccc31)c1ccccc1-2.
What is the InChIKey of 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]?
The InChIKey is BTNJMPSTPJWZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27Br/c1-34(2,3)22-19-20-26-25-13-7-9-16-29(25)35(31(26)21-22)28-15-8-6-12-24(28)23-11-4-5-14-27(23)33-30(35)17-10-18-32(33)36/h4-21H,1-3H3.
What are the key properties of 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]?
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] has a molecular weight of 527.51 g/mol, XLogP of 9.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 153288141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).