2,7-dibromo-10'-(3,5-diphenylphenyl)-3-methylspiro[3,4-dihydrofluorene-9,9'-acridine]

C44H31Br2N — CID 145096368

IUPAC2,7-dibromo-10'-(3,5-diphenylphenyl)-3-methylspiro[3,4-dihydrofluorene-9,9'-acridine]
SMILESCC1CC2=C(C=C1Br)C1(c3cc(Br)ccc32)c2ccccc2N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C44H31Br2N/c1-28-22-36-35-21-20-33(45)26-39(35)44(40(36)27-41(28)46)37-16-8-10-18-42(37)47(43-19-11-9-17-38(43)44)34-24-31(29-12-4-2-5-13-29)23-32(25-34)30-14-6-3-7-15-30/h2-21,23-28H,22H2,1H3
InChIKeyQSZZQELHAGAOGR-UHFFFAOYSA-N
MW733.55 g/mol
LogP12.99
Rot. Bonds3

About 2,7-dibromo-10'-(3,5-diphenylphenyl)-3-methylspiro[3,4-dihydrofluorene-9,9'-acridine]

2,7-dibromo-10'-(3,5-diphenylphenyl)-3-methylspiro[3,4-dihydrofluorene-9,9'-acridine] (PubChem CID 145096368) has the molecular formula C44H31Br2N and a molecular weight of 733.55 g/mol. Its IUPAC name is 2,7-dibromo-10'-(3,5-diphenylphenyl)-3-methylspiro[3,4-dihydrofluorene-9,9'-acridine].

Molecular Properties

Compound Name2,7-dibromo-10'-(3,5-diphenylphenyl)-3-methylspiro[3,4-dihydrofluorene-9,9'-acridine]
PubChem CID145096368
Molecular FormulaC44H31Br2N
Molecular Weight733.55 g/mol
Exact Mass731.08
IUPAC Name2,7-dibromo-10'-(3,5-diphenylphenyl)-3-methylspiro[3,4-dihydrofluorene-9,9'-acridine]
SMILESCC1CC2=C(C=C1Br)C1(c3cc(Br)ccc32)c2ccccc2N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C44H31Br2N/c1-28-22-36-35-21-20-33(45)26-39(35)44(40(36)27-41(28)46)37-16-8-10-18-42(37)47(43-19-11-9-17-38(43)44)34-24-31(29-12-4-2-5-13-29)23-32(25-34)30-14-6-3-7-15-30/h2-21,23-28H,22H2,1H3
InChIKeyQSZZQELHAGAOGR-UHFFFAOYSA-N
XLogP12.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.55
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,7-dibromo-10'-(3,5-diphenylphenyl)-3-methylspiro[3,4-dihydrofluorene-9,9'-acridine] with MolForge

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Related Compounds

9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine]
CID 142293637
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
7-bromo-10'-phenylspiro[1,2,3,4-tetrahydroindeno[1,2-b]pyridine-5,9'-acridine]
CID 145412668
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-bromo-9-ethyl-9-methyl-10-(4-phenylphenyl)acridine
CID 71004078
10-(3,5-diphenylphenyl)-9-ethyl-9-propylacridine
CID 71221383
3-(3-bromophenyl)-9,9,10-triphenylacridine
CID 121259219
3-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-5,5,8,8-tetramethyl-N-(4-phenylphenyl)-6,7-dihydronaphthalen-2-amine
CID 167133338
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
2-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 172991970
3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
CID 145334426

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-10'-(3,5-diphenylphenyl)-3-methylspiro[3,4-dihydrofluorene-9,9'-acridine]?
The IUPAC name of 2,7-dibromo-10'-(3,5-diphenylphenyl)-3-methylspiro[3,4-dihydrofluorene-9,9'-acridine] (CID 145096368) is 2,7-dibromo-10'-(3,5-diphenylphenyl)-3-methylspiro[3,4-dihydrofluorene-9,9'-acridine].
What is the SMILES notation for 2,7-dibromo-10'-(3,5-diphenylphenyl)-3-methylspiro[3,4-dihydrofluorene-9,9'-acridine]?
The canonical SMILES for 2,7-dibromo-10'-(3,5-diphenylphenyl)-3-methylspiro[3,4-dihydrofluorene-9,9'-acridine] is CC1CC2=C(C=C1Br)C1(c3cc(Br)ccc32)c2ccccc2N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc21.
What is the InChIKey of 2,7-dibromo-10'-(3,5-diphenylphenyl)-3-methylspiro[3,4-dihydrofluorene-9,9'-acridine]?
The InChIKey is QSZZQELHAGAOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31Br2N/c1-28-22-36-35-21-20-33(45)26-39(35)44(40(36)27-41(28)46)37-16-8-10-18-42(37)47(43-19-11-9-17-38(43)44)34-24-31(29-12-4-2-5-13-29)23-32(25-34)30-14-6-3-7-15-30/h2-21,23-28H,22H2,1H3.
What are the key properties of 2,7-dibromo-10'-(3,5-diphenylphenyl)-3-methylspiro[3,4-dihydrofluorene-9,9'-acridine]?
2,7-dibromo-10'-(3,5-diphenylphenyl)-3-methylspiro[3,4-dihydrofluorene-9,9'-acridine] has a molecular weight of 733.55 g/mol, XLogP of 12.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-10'-(3,5-diphenylphenyl)-3-methylspiro[3,4-dihydrofluorene-9,9'-acridine] is sourced from PubChem (CID 145096368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).