5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene]

C35H21Br — CID 134354213

IUPAC5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene]
SMILESBrc1cc2c(c3ccccc13)-c1ccc(-c3ccccc3)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C35H21Br/c36-33-21-32-34(27-15-5-4-14-26(27)33)28-19-18-23(22-10-2-1-3-11-22)20-31(28)35(32)29-16-8-6-12-24(29)25-13-7-9-17-30(25)35/h1-21H
InChIKeyZZGWBJQYTXIWDM-UHFFFAOYSA-N
MW521.46 g/mol
LogP9.61
Rot. Bonds1

About 5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene]

5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene] (PubChem CID 134354213) has the molecular formula C35H21Br and a molecular weight of 521.46 g/mol. Its IUPAC name is 5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene].

Molecular Properties

Compound Name5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene]
PubChem CID134354213
Molecular FormulaC35H21Br
Molecular Weight521.46 g/mol
Exact Mass520.08
IUPAC Name5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene]
SMILESBrc1cc2c(c3ccccc13)-c1ccc(-c3ccccc3)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C35H21Br/c36-33-21-32-34(27-15-5-4-14-26(27)33)28-19-18-23(22-10-2-1-3-11-22)20-31(28)35(32)29-16-8-6-12-24(29)25-13-7-9-17-30(25)35/h1-21H
InChIKeyZZGWBJQYTXIWDM-UHFFFAOYSA-N
XLogP9.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.46
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene]
CID 158615914
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene]
CID 142725067
9,9-dimethyl-9'-phenyl-5'-(5-phenylnaphthalen-1-yl)spiro[anthracene-10,7'-benzo[c]fluorene]
CID 171743019
2-[10-(4-phenylphenyl)anthracen-9-yl]-5-(9,9'-spirobi[fluorene]-2-yl)pyridine
CID 153288517
5',9'-bis(3,5-diphenylphenyl)-9,9-dimethylspiro[anthracene-10,7'-benzo[c]fluorene]
CID 171742936
9',9'-bis(3,5-dibromophenyl)-6'-phenylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]
CID 164755510
9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole
CID 129258967
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270

Frequently Asked Questions

What is the IUPAC name of 5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene]?
The IUPAC name of 5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene] (CID 134354213) is 5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene].
What is the SMILES notation for 5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene]?
The canonical SMILES for 5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene] is Brc1cc2c(c3ccccc13)-c1ccc(-c3ccccc3)cc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene]?
The InChIKey is ZZGWBJQYTXIWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21Br/c36-33-21-32-34(27-15-5-4-14-26(27)33)28-19-18-23(22-10-2-1-3-11-22)20-31(28)35(32)29-16-8-6-12-24(29)25-13-7-9-17-30(25)35/h1-21H.
What are the key properties of 5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene]?
5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene] has a molecular weight of 521.46 g/mol, XLogP of 9.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-9-phenylspiro[benzo[c]fluorene-7,9'-fluorene] is sourced from PubChem (CID 134354213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).