2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]

C35H21Br — CID 130452820

IUPAC2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3cccc4ccccc34)ccc1-2
InChIInChI=1S/C35H21Br/c36-24-17-19-30-29-18-16-23(26-13-7-9-22-8-1-2-10-25(22)26)20-33(29)35(34(30)21-24)31-14-5-3-11-27(31)28-12-4-6-15-32(28)35/h1-21H
InChIKeyPMTCYIKMXSZUCZ-UHFFFAOYSA-N
MW521.46 g/mol
LogP9.61
Rot. Bonds1

About 2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]

2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene] (PubChem CID 130452820) has the molecular formula C35H21Br and a molecular weight of 521.46 g/mol. Its IUPAC name is 2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
PubChem CID130452820
Molecular FormulaC35H21Br
Molecular Weight521.46 g/mol
Exact Mass520.08
IUPAC Name2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3cccc4ccccc34)ccc1-2
InChIInChI=1S/C35H21Br/c36-24-17-19-30-29-18-16-23(26-13-7-9-22-8-1-2-10-25(22)26)20-33(29)35(34(30)21-24)31-14-5-3-11-27(31)28-12-4-6-15-32(28)35/h1-21H
InChIKeyPMTCYIKMXSZUCZ-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-naphthalen-1-ylspiro[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 140873354
6-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]
CID 145144830
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene]
CID 142725067
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 134216060
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
2'-benzo[a]anthracen-8-yl-7'-benzo[a]anthracen-11-yl-9,9'-spirobi[fluorene]
CID 123728298
2'-[12-(4-naphthalen-1-ylphenyl)chrysen-6-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485109
2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]
CID 129087141
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147

Frequently Asked Questions

What is the IUPAC name of 2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]?
The IUPAC name of 2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene] (CID 130452820) is 2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene].
What is the SMILES notation for 2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]?
The canonical SMILES for 2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene] is Brc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3cccc4ccccc34)ccc1-2.
What is the InChIKey of 2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]?
The InChIKey is PMTCYIKMXSZUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21Br/c36-24-17-19-30-29-18-16-23(26-13-7-9-22-8-1-2-10-25(22)26)20-33(29)35(34(30)21-24)31-14-5-3-11-27(31)28-12-4-6-15-32(28)35/h1-21H.
What are the key properties of 2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]?
2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[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 2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 130452820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).