2,7-dibromo-9'-[[4-(2,7-dibromo-9',9'-diphenylspiro[acridine-9,10'-anthracene]-10-yl)phenyl]methyl]-9'-methyl-10-phenylspiro[acridine-9,10'-anthracene]

C78H52Br4N2 — CID 123148117

IUPAC2,7-dibromo-9'-[[4-(2,7-dibromo-9',9'-diphenylspiro[acridine-9,10'-anthracene]-10-yl)phenyl]methyl]-9'-methyl-10-phenylspiro[acridine-9,10'-anthracene]
SMILESCC1(Cc2ccc(N3c4ccc(Br)cc4C4(c5cc(Br)ccc53)c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc34)cc2)c2ccccc2C2(c3cc(Br)ccc3N(c3ccccc3)c3ccc(Br)cc32)c2ccccc21
InChIInChI=1S/C78H52Br4N2/c1-75(59-25-11-13-27-61(59)77(62-28-14-12-26-60(62)75)67-45-53(79)35-41-71(67)83(57-23-9-4-10-24-57)72-42-36-54(80)46-68(72)77)49-50-33-39-58(40-34-50)84-73-43-37-55(81)47-69(73)78(70-48-56(82)38-44-74(70)84)65-31-17-15-29-63(65)76(51-19-5-2-6-20-51,52-21-7-3-8-22-52)64-30-16-18-32-66(64)78/h2-48H,49H2,1H3
InChIKeyRSXODJHAMQQKGB-UHFFFAOYSA-N
MW1336.90 g/mol
LogP21.63
Rot. Bonds6

About 2,7-dibromo-9'-[[4-(2,7-dibromo-9',9'-diphenylspiro[acridine-9,10'-anthracene]-10-yl)phenyl]methyl]-9'-methyl-10-phenylspiro[acridine-9,10'-anthracene]

2,7-dibromo-9'-[[4-(2,7-dibromo-9',9'-diphenylspiro[acridine-9,10'-anthracene]-10-yl)phenyl]methyl]-9'-methyl-10-phenylspiro[acridine-9,10'-anthracene] (PubChem CID 123148117) has the molecular formula C78H52Br4N2 and a molecular weight of 1336.90 g/mol. Its IUPAC name is 2,7-dibromo-9'-[[4-(2,7-dibromo-9',9'-diphenylspiro[acridine-9,10'-anthracene]-10-yl)phenyl]methyl]-9'-methyl-10-phenylspiro[acridine-9,10'-anthracene].

Molecular Properties

Compound Name2,7-dibromo-9'-[[4-(2,7-dibromo-9',9'-diphenylspiro[acridine-9,10'-anthracene]-10-yl)phenyl]methyl]-9'-methyl-10-phenylspiro[acridine-9,10'-anthracene]
PubChem CID123148117
Molecular FormulaC78H52Br4N2
Molecular Weight1336.90 g/mol
Exact Mass1332.09
IUPAC Name2,7-dibromo-9'-[[4-(2,7-dibromo-9',9'-diphenylspiro[acridine-9,10'-anthracene]-10-yl)phenyl]methyl]-9'-methyl-10-phenylspiro[acridine-9,10'-anthracene]
SMILESCC1(Cc2ccc(N3c4ccc(Br)cc4C4(c5cc(Br)ccc53)c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc34)cc2)c2ccccc2C2(c3cc(Br)ccc3N(c3ccccc3)c3ccc(Br)cc32)c2ccccc21
InChIInChI=1S/C78H52Br4N2/c1-75(59-25-11-13-27-61(59)77(62-28-14-12-26-60(62)75)67-45-53(79)35-41-71(67)83(57-23-9-4-10-24-57)72-42-36-54(80)46-68(72)77)49-50-33-39-58(40-34-50)84-73-43-37-55(81)47-69(73)78(70-48-56(82)38-44-74(70)84)65-31-17-15-29-63(65)76(51-19-5-2-6-20-51,52-21-7-3-8-22-52)64-30-16-18-32-66(64)78/h2-48H,49H2,1H3
InChIKeyRSXODJHAMQQKGB-UHFFFAOYSA-N
XLogP21.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001336.90
LogP ≤ 521.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,7-dibromo-9'-[[4-(2,7-dibromo-9',9'-diphenylspiro[acridine-9,10'-anthracene]-10-yl)phenyl]methyl]-9'-methyl-10-phenylspiro[acridine-9,10'-anthracene] with MolForge

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Related Compounds

10-phenyl-2-[(9,9,9'-trimethyl-10,10'-spirobi[anthracene]-9'-yl)methyl]spiro[acridine-9,9'-xanthene]
CID 166909529
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-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
2-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 172991970
9-[4-(2,2-dimethylpropyl)phenyl]-9,10-diphenylacridine
CID 134578132
3-(3-bromophenyl)-9,9,10-triphenylacridine
CID 121259219
2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
CID 142567718
2-bromo-9,9-dimethyl-10-phenyl-7-triphenylen-2-ylacridine
CID 171571853
9,9,10-triphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine
CID 71007072

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9'-[[4-(2,7-dibromo-9',9'-diphenylspiro[acridine-9,10'-anthracene]-10-yl)phenyl]methyl]-9'-methyl-10-phenylspiro[acridine-9,10'-anthracene]?
The IUPAC name of 2,7-dibromo-9'-[[4-(2,7-dibromo-9',9'-diphenylspiro[acridine-9,10'-anthracene]-10-yl)phenyl]methyl]-9'-methyl-10-phenylspiro[acridine-9,10'-anthracene] (CID 123148117) is 2,7-dibromo-9'-[[4-(2,7-dibromo-9',9'-diphenylspiro[acridine-9,10'-anthracene]-10-yl)phenyl]methyl]-9'-methyl-10-phenylspiro[acridine-9,10'-anthracene].
What is the SMILES notation for 2,7-dibromo-9'-[[4-(2,7-dibromo-9',9'-diphenylspiro[acridine-9,10'-anthracene]-10-yl)phenyl]methyl]-9'-methyl-10-phenylspiro[acridine-9,10'-anthracene]?
The canonical SMILES for 2,7-dibromo-9'-[[4-(2,7-dibromo-9',9'-diphenylspiro[acridine-9,10'-anthracene]-10-yl)phenyl]methyl]-9'-methyl-10-phenylspiro[acridine-9,10'-anthracene] is CC1(Cc2ccc(N3c4ccc(Br)cc4C4(c5cc(Br)ccc53)c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc34)cc2)c2ccccc2C2(c3cc(Br)ccc3N(c3ccccc3)c3ccc(Br)cc32)c2ccccc21.
What is the InChIKey of 2,7-dibromo-9'-[[4-(2,7-dibromo-9',9'-diphenylspiro[acridine-9,10'-anthracene]-10-yl)phenyl]methyl]-9'-methyl-10-phenylspiro[acridine-9,10'-anthracene]?
The InChIKey is RSXODJHAMQQKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52Br4N2/c1-75(59-25-11-13-27-61(59)77(62-28-14-12-26-60(62)75)67-45-53(79)35-41-71(67)83(57-23-9-4-10-24-57)72-42-36-54(80)46-68(72)77)49-50-33-39-58(40-34-50)84-73-43-37-55(81)47-69(73)78(70-48-56(82)38-44-74(70)84)65-31-17-15-29-63(65)76(51-19-5-2-6-20-51,52-21-7-3-8-22-52)64-30-16-18-32-66(64)78/h2-48H,49H2,1H3.
What are the key properties of 2,7-dibromo-9'-[[4-(2,7-dibromo-9',9'-diphenylspiro[acridine-9,10'-anthracene]-10-yl)phenyl]methyl]-9'-methyl-10-phenylspiro[acridine-9,10'-anthracene]?
2,7-dibromo-9'-[[4-(2,7-dibromo-9',9'-diphenylspiro[acridine-9,10'-anthracene]-10-yl)phenyl]methyl]-9'-methyl-10-phenylspiro[acridine-9,10'-anthracene] has a molecular weight of 1336.90 g/mol, XLogP of 21.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9'-[[4-(2,7-dibromo-9',9'-diphenylspiro[acridine-9,10'-anthracene]-10-yl)phenyl]methyl]-9'-methyl-10-phenylspiro[acridine-9,10'-anthracene] is sourced from PubChem (CID 123148117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).