2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]

C29H17Br — CID 129087141

IUPAC2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]
SMILESBrc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3cccc4cccc2c34)cc1
InChIInChI=1S/C29H17Br/c30-21-14-11-18(12-15-21)20-13-16-23-22-7-1-2-8-24(22)29(27(23)17-20)25-9-3-5-19-6-4-10-26(29)28(19)25/h1-17H
InChIKeyWNSGCBZZBXQZHT-UHFFFAOYSA-N
MW445.36 g/mol
LogP7.95
Rot. Bonds1

About 2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]

2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene] (PubChem CID 129087141) has the molecular formula C29H17Br and a molecular weight of 445.36 g/mol. Its IUPAC name is 2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene].

Molecular Properties

Compound Name2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]
PubChem CID129087141
Molecular FormulaC29H17Br
Molecular Weight445.36 g/mol
Exact Mass444.05
IUPAC Name2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]
SMILESBrc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3cccc4cccc2c34)cc1
InChIInChI=1S/C29H17Br/c30-21-14-11-18(12-15-21)20-13-16-23-22-7-1-2-8-24(22)29(27(23)17-20)25-9-3-5-19-6-4-10-26(29)28(19)25/h1-17H
InChIKeyWNSGCBZZBXQZHT-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.36
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 134216060
2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820
4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 165158281
N-[4-(4-bromophenyl)phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121383399
2,2'-di(perylen-2-yl)-9,9'-spirobi[fluorene]
CID 91280575
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 161198926
2'-[8-(4-phenylphenyl)-17-tricyclo[8.8.0.02,7]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485110
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine
CID 149015479

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]?
The IUPAC name of 2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene] (CID 129087141) is 2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene].
What is the SMILES notation for 2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]?
The canonical SMILES for 2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene] is Brc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3cccc4cccc2c34)cc1.
What is the InChIKey of 2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]?
The InChIKey is WNSGCBZZBXQZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17Br/c30-21-14-11-18(12-15-21)20-13-16-23-22-7-1-2-8-24(22)29(27(23)17-20)25-9-3-5-19-6-4-10-26(29)28(19)25/h1-17H.
What are the key properties of 2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]?
2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene] has a molecular weight of 445.36 g/mol, XLogP of 7.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene] is sourced from PubChem (CID 129087141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).