2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene]

C38H25BrO — CID 121482268

IUPAC2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene]
SMILESCOc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(Br)ccc2-3)c(-c2ccccc2)c1
InChIInChI=1S/C38H25BrO/c1-40-27-17-20-28(33(23-27)24-9-3-2-4-10-24)25-15-18-31-32-19-16-26(39)22-37(32)38(36(31)21-25)34-13-7-5-11-29(34)30-12-6-8-14-35(30)38/h2-23H,1H3
InChIKeyWSGHFPSAHGVUDJ-UHFFFAOYSA-N
MW577.52 g/mol
LogP10.14
Rot. Bonds3

About 2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene]

2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene] (PubChem CID 121482268) has the molecular formula C38H25BrO and a molecular weight of 577.52 g/mol. Its IUPAC name is 2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene]
PubChem CID121482268
Molecular FormulaC38H25BrO
Molecular Weight577.52 g/mol
Exact Mass576.11
IUPAC Name2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene]
SMILESCOc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(Br)ccc2-3)c(-c2ccccc2)c1
InChIInChI=1S/C38H25BrO/c1-40-27-17-20-28(33(23-27)24-9-3-2-4-10-24)25-15-18-31-32-19-16-26(39)22-37(32)38(36(31)21-25)34-13-7-5-11-29(34)30-12-6-8-14-35(30)38/h2-23H,1H3
InChIKeyWSGHFPSAHGVUDJ-UHFFFAOYSA-N
XLogP10.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.52
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene] with MolForge

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Related Compounds

2-bromo-7-(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;2-(4-methoxy-2-phenylphenyl)-9,9-dimethyl-7-(2-phenylphenyl)fluorene;(2-phenylphenyl)boronic acid
CID 161359304
20'-bromo-5'-methoxyspiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene]
CID 122413356
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene]
CID 168791383
2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene
CID 86722507
N-(4-bromophenyl)-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 58202632
2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
2-methoxy-7-(2-phenylphenyl)naphthalene
CID 141340555
2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 173227728
CID 163822943
CID 163822943

Frequently Asked Questions

What is the IUPAC name of 2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene]?
The IUPAC name of 2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene] (CID 121482268) is 2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene] is COc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(Br)ccc2-3)c(-c2ccccc2)c1.
What is the InChIKey of 2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene]?
The InChIKey is WSGHFPSAHGVUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25BrO/c1-40-27-17-20-28(33(23-27)24-9-3-2-4-10-24)25-15-18-31-32-19-16-26(39)22-37(32)38(36(31)21-25)34-13-7-5-11-29(34)30-12-6-8-14-35(30)38/h2-23H,1H3.
What are the key properties of 2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene]?
2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene] has a molecular weight of 577.52 g/mol, XLogP of 10.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 121482268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).