7-bromospiro[benzo[a]fluorene-11,9'-fluorene]

C29H17Br — CID 134194078

IUPAC7-bromospiro[benzo[a]fluorene-11,9'-fluorene]
SMILESBrc1cccc2c1-c1ccc3ccccc3c1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C29H17Br/c30-26-15-7-14-25-27(26)22-17-16-18-8-1-2-9-19(18)28(22)29(25)23-12-5-3-10-20(23)21-11-4-6-13-24(21)29/h1-17H
InChIKeyMJZTXIUXRSTFFX-UHFFFAOYSA-N
MW445.36 g/mol
LogP7.95
Rot. Bonds

About 7-bromospiro[benzo[a]fluorene-11,9'-fluorene]

7-bromospiro[benzo[a]fluorene-11,9'-fluorene] (PubChem CID 134194078) has the molecular formula C29H17Br and a molecular weight of 445.36 g/mol. Its IUPAC name is 7-bromospiro[benzo[a]fluorene-11,9'-fluorene].

Molecular Properties

Compound Name7-bromospiro[benzo[a]fluorene-11,9'-fluorene]
PubChem CID134194078
Molecular FormulaC29H17Br
Molecular Weight445.36 g/mol
Exact Mass444.05
IUPAC Name7-bromospiro[benzo[a]fluorene-11,9'-fluorene]
SMILESBrc1cccc2c1-c1ccc3ccccc3c1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C29H17Br/c30-26-15-7-14-25-27(26)22-17-16-18-8-1-2-9-19(18)28(22)29(25)23-12-5-3-10-20(23)21-11-4-6-13-24(21)29/h1-17H
InChIKeyMJZTXIUXRSTFFX-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

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

Analyze 7-bromospiro[benzo[a]fluorene-11,9'-fluorene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 134216060
9'-(2-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140962879
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
8-chlorospiro[benzo[c]fluorene-7,9'-fluorene]
CID 165158278
17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]
CID 140962833
9'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140961856
5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene]
CID 158615914
9,9-dinaphthalen-1-ylfluorene
CID 140680296
9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140962679
4-bromo-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898406
5-bromo-2-ethyl-9,9'-spirobi[fluorene]
CID 142521287

Frequently Asked Questions

What is the IUPAC name of 7-bromospiro[benzo[a]fluorene-11,9'-fluorene]?
The IUPAC name of 7-bromospiro[benzo[a]fluorene-11,9'-fluorene] (CID 134194078) is 7-bromospiro[benzo[a]fluorene-11,9'-fluorene].
What is the SMILES notation for 7-bromospiro[benzo[a]fluorene-11,9'-fluorene]?
The canonical SMILES for 7-bromospiro[benzo[a]fluorene-11,9'-fluorene] is Brc1cccc2c1-c1ccc3ccccc3c1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 7-bromospiro[benzo[a]fluorene-11,9'-fluorene]?
The InChIKey is MJZTXIUXRSTFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17Br/c30-26-15-7-14-25-27(26)22-17-16-18-8-1-2-9-19(18)28(22)29(25)23-12-5-3-10-20(23)21-11-4-6-13-24(21)29/h1-17H.
What are the key properties of 7-bromospiro[benzo[a]fluorene-11,9'-fluorene]?
7-bromospiro[benzo[a]fluorene-11,9'-fluorene] has a molecular weight of 445.36 g/mol, XLogP of 7.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromospiro[benzo[a]fluorene-11,9'-fluorene] is sourced from PubChem (CID 134194078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).