2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]

C38H25Br — CID 142567718

IUPAC2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H25Br/c39-28-23-24-35-36(25-28)38(31-19-9-7-17-29(31)30-18-8-10-20-32(30)38)34-22-12-11-21-33(34)37(35,26-13-3-1-4-14-26)27-15-5-2-6-16-27/h1-25H
InChIKeyDXKKPUIOZHGKMA-UHFFFAOYSA-N
MW561.52 g/mol
LogP9.51
Rot. Bonds2

About 2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]

2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene] (PubChem CID 142567718) has the molecular formula C38H25Br and a molecular weight of 561.52 g/mol. Its IUPAC name is 2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene].

Molecular Properties

Compound Name2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
PubChem CID142567718
Molecular FormulaC38H25Br
Molecular Weight561.52 g/mol
Exact Mass560.11
IUPAC Name2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H25Br/c39-28-23-24-35-36(25-28)38(31-19-9-7-17-29(31)30-18-8-10-20-32(30)38)34-22-12-11-21-33(34)37(35,26-13-3-1-4-14-26)27-15-5-2-6-16-27/h1-25H
InChIKeyDXKKPUIOZHGKMA-UHFFFAOYSA-N
XLogP9.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.52
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862
4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline
CID 18790937
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
10-bromo-7,7-diphenylbenzo[a]phenalene
CID 118532999
10',11',17'-tribromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 130268416
CID 89138178
CID 89138178
CID 23590222
CID 23590222
7-(3-bromophenyl)-7-phenylbenzo[a]phenalene
CID 134352385
2-bromo-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluorene
CID 177098978

Frequently Asked Questions

What is the IUPAC name of 2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]?
The IUPAC name of 2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene] (CID 142567718) is 2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene].
What is the SMILES notation for 2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]?
The canonical SMILES for 2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene] is Brc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]?
The InChIKey is DXKKPUIOZHGKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25Br/c39-28-23-24-35-36(25-28)38(31-19-9-7-17-29(31)30-18-8-10-20-32(30)38)34-22-12-11-21-33(34)37(35,26-13-3-1-4-14-26)27-15-5-2-6-16-27/h1-25H.
What are the key properties of 2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]?
2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene] has a molecular weight of 561.52 g/mol, XLogP of 9.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene] is sourced from PubChem (CID 142567718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).