2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]

C37H23Br — CID 142716244

IUPAC2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
SMILESBrc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C37H23Br/c38-28-18-14-25(15-19-28)27-17-21-32-31-20-16-26(24-8-2-1-3-9-24)22-35(31)37(36(32)23-27)33-12-6-4-10-29(33)30-11-5-7-13-34(30)37/h1-23H
InChIKeyKOROIWAPBBEGSB-UHFFFAOYSA-N
MW547.50 g/mol
LogP10.13
Rot. Bonds2

About 2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]

2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene] (PubChem CID 142716244) has the molecular formula C37H23Br and a molecular weight of 547.50 g/mol. Its IUPAC name is 2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
PubChem CID142716244
Molecular FormulaC37H23Br
Molecular Weight547.50 g/mol
Exact Mass546.10
IUPAC Name2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
SMILESBrc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C37H23Br/c38-28-18-14-25(15-19-28)27-17-21-32-31-20-16-26(24-8-2-1-3-9-24)22-35(31)37(36(32)23-27)33-12-6-4-10-29(33)30-11-5-7-13-34(30)37/h1-23H
InChIKeyKOROIWAPBBEGSB-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

2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
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-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 161198926
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846
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
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
4'-[3-(4-bromophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 165158281
4-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)benzaldehyde
CID 58444291
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266

Frequently Asked Questions

What is the IUPAC name of 2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]?
The IUPAC name of 2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene] (CID 142716244) is 2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene] is Brc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccccc4)ccc2-3)cc1.
What is the InChIKey of 2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]?
The InChIKey is KOROIWAPBBEGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23Br/c38-28-18-14-25(15-19-28)27-17-21-32-31-20-16-26(24-8-2-1-3-9-24)22-35(31)37(36(32)23-27)33-12-6-4-10-29(33)30-11-5-7-13-34(30)37/h1-23H.
What are the key properties of 2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]?
2'-(4-bromophenyl)-7'-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 2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 142716244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).