4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene]

C37H23Br — CID 165158281

IUPAC4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene]
SMILESBrc1ccc(-c2cccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C37H23Br/c38-27-21-19-24(20-22-27)25-9-7-10-26(23-25)28-14-8-18-35-36(28)31-13-3-6-17-34(31)37(35)32-15-4-1-11-29(32)30-12-2-5-16-33(30)37/h1-23H
InChIKeyKCNBBHPVHBWQSI-UHFFFAOYSA-N
MW547.50 g/mol
LogP10.13
Rot. Bonds2

About 4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene]

4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene] (PubChem CID 165158281) has the molecular formula C37H23Br and a molecular weight of 547.50 g/mol. Its IUPAC name is 4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene]
PubChem CID165158281
Molecular FormulaC37H23Br
Molecular Weight547.50 g/mol
Exact Mass546.10
IUPAC Name4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene]
SMILESBrc1ccc(-c2cccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C37H23Br/c38-27-21-19-24(20-22-27)25-9-7-10-26(23-25)28-14-8-18-35-36(28)31-13-3-6-17-34(31)37(35)32-15-4-1-11-29(32)30-12-2-5-16-33(30)37/h1-23H
InChIKeyKCNBBHPVHBWQSI-UHFFFAOYSA-N
XLogP10.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.50
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 166563560
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 139521250
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177115855
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 159399001
4-(3-phenylphenyl)-6-(4-phenylphenyl)-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 90059569
2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]
CID 129087141
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]
CID 177115837
4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 171799079
4,6-diphenyl-2-[3-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 161181534
2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356706

Frequently Asked Questions

What is the IUPAC name of 4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene] (CID 165158281) is 4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene] is Brc1ccc(-c2cccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of 4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene]?
The InChIKey is KCNBBHPVHBWQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23Br/c38-27-21-19-24(20-22-27)25-9-7-10-26(23-25)28-14-8-18-35-36(28)31-13-3-6-17-34(31)37(35)32-15-4-1-11-29(32)30-12-2-5-16-33(30)37/h1-23H.
What are the key properties of 4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene]?
4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene] has a molecular weight of 547.50 g/mol, XLogP of 10.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 165158281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).