2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene]

C39H35BrIN — CID 143268544

IUPAC2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene]
SMILESCC(C)(C)c1ccc(N2c3ccccc3C3(c4cc(Br)ccc4-c4ccc(I)cc43)c3cc(C(C)(C)C)ccc32)cc1
InChIInChI=1S/C39H35BrIN/c1-37(2,3)24-11-16-28(17-12-24)42-35-10-8-7-9-31(35)39(34-21-25(38(4,5)6)13-20-36(34)42)32-22-26(40)14-18-29(32)30-19-15-27(41)23-33(30)39/h7-23H,1-6H3
InChIKeyFEUZYQSIRWBWEX-UHFFFAOYSA-N
MW724.52 g/mol
LogP11.80
Rot. Bonds1

About 2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene]

2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene] (PubChem CID 143268544) has the molecular formula C39H35BrIN and a molecular weight of 724.52 g/mol. Its IUPAC name is 2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene]
PubChem CID143268544
Molecular FormulaC39H35BrIN
Molecular Weight724.52 g/mol
Exact Mass723.10
IUPAC Name2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene]
SMILESCC(C)(C)c1ccc(N2c3ccccc3C3(c4cc(Br)ccc4-c4ccc(I)cc43)c3cc(C(C)(C)C)ccc32)cc1
InChIInChI=1S/C39H35BrIN/c1-37(2,3)24-11-16-28(17-12-24)42-35-10-8-7-9-31(35)39(34-21-25(38(4,5)6)13-20-36(34)42)32-22-26(40)14-18-29(32)30-19-15-27(41)23-33(30)39/h7-23H,1-6H3
InChIKeyFEUZYQSIRWBWEX-UHFFFAOYSA-N
XLogP11.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.52
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene] with MolForge

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Related Compounds

CID 58389434
CID 58389434
2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene]
CID 170180910
2-tert-butyl-10-[7'-(2-tert-butyl-9,9-dimethylacridin-10-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethyl-9-methylacridine
CID 144530914
2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene
CID 176670386
10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 171799183
9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine]
CID 142293637
5-(4-tert-butylphenyl)-10-(9,9-dimethylfluoren-2-yl)phenazine
CID 168782836
5',14'-dibromo-10-phenylspiro[acridine-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]
CID 126551793
2-tert-butyl-10'-dibenzofuran-3-yl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 176670412
2-bromo-9-ethyl-9-methyl-10-(4-phenylphenyl)acridine
CID 71004078
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
2,7-ditert-butyl-9,9-dimethyl-10-phenylacridine
CID 135248210

Frequently Asked Questions

What is the IUPAC name of 2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene]?
The IUPAC name of 2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene] (CID 143268544) is 2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene].
What is the SMILES notation for 2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene]?
The canonical SMILES for 2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene] is CC(C)(C)c1ccc(N2c3ccccc3C3(c4cc(Br)ccc4-c4ccc(I)cc43)c3cc(C(C)(C)C)ccc32)cc1.
What is the InChIKey of 2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene]?
The InChIKey is FEUZYQSIRWBWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35BrIN/c1-37(2,3)24-11-16-28(17-12-24)42-35-10-8-7-9-31(35)39(34-21-25(38(4,5)6)13-20-36(34)42)32-22-26(40)14-18-29(32)30-19-15-27(41)23-33(30)39/h7-23H,1-6H3.
What are the key properties of 2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene]?
2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene] has a molecular weight of 724.52 g/mol, XLogP of 11.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 143268544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).