5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene]

C58H35Br — CID 158615914

IUPAC5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene]
SMILESBrc1cc2c(c3ccccc13)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/C29H17Br.C29H18/c30-27-17-26-28(21-12-2-1-11-20(21)27)22-13-5-8-16-25(22)29(26)23-14-6-3-9-18(23)19-10-4-7-15-24(19)29;1-2-10-20-19(9-1)17-18-27-28(20)23-13-5-8-16-26(23)29(27)24-14-6-3-11-21(24)22-12-4-7-15-25(22)29/h1-17H;1-18H
InChIKeyHXJPKIZRKSQWIJ-UHFFFAOYSA-N
MW811.82 g/mol
LogP15.13
Rot. Bonds

About 5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene]

5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene] (PubChem CID 158615914) has the molecular formula C58H35Br and a molecular weight of 811.82 g/mol. Its IUPAC name is 5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene].

Molecular Properties

Compound Name5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene]
PubChem CID158615914
Molecular FormulaC58H35Br
Molecular Weight811.82 g/mol
Exact Mass810.19
IUPAC Name5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene]
SMILESBrc1cc2c(c3ccccc13)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/C29H17Br.C29H18/c30-27-17-26-28(21-12-2-1-11-20(21)27)22-13-5-8-16-25(22)29(26)23-14-6-3-9-18(23)19-10-4-7-15-24(19)29;1-2-10-20-19(9-1)17-18-27-28(20)23-13-5-8-16-26(23)29(27)24-14-6-3-11-21(24)22-12-4-7-15-25(22)29/h1-17H;1-18H
InChIKeyHXJPKIZRKSQWIJ-UHFFFAOYSA-N
XLogP15.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.82
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene] with MolForge

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Related Compounds

5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 134354213
3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene]
CID 164550694
CID 134272960
CID 134272960
4'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 140792308
5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 101471754
CID 158054771
CID 158054771
1'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 153412677
4-phenyl-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylquinazoline
CID 137494166
2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine
CID 58233397
17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140961837
7-bromospiro[benzo[a]fluorene-11,9'-fluorene]
CID 134194078
8-chlorospiro[benzo[c]fluorene-7,9'-fluorene]
CID 165158278

Frequently Asked Questions

What is the IUPAC name of 5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene]?
The IUPAC name of 5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene] (CID 158615914) is 5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene].
What is the SMILES notation for 5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene]?
The canonical SMILES for 5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene] is Brc1cc2c(c3ccccc13)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1ccccc21.
What is the InChIKey of 5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene]?
The InChIKey is HXJPKIZRKSQWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17Br.C29H18/c30-27-17-26-28(21-12-2-1-11-20(21)27)22-13-5-8-16-25(22)29(26)23-14-6-3-9-18(23)19-10-4-7-15-24(19)29;1-2-10-20-19(9-1)17-18-27-28(20)23-13-5-8-16-26(23)29(27)24-14-6-3-11-21(24)22-12-4-7-15-25(22)29/h1-17H;1-18H.
What are the key properties of 5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene]?
5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene] has a molecular weight of 811.82 g/mol, XLogP of 15.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene] is sourced from PubChem (CID 158615914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).