2,2',7,7'-tetramethoxy-10,10'-bis(4-methoxyphenyl)-9,9'-spirobi[acridine]

C43H38N2O6 — CID 102495613

IUPAC2,2',7,7'-tetramethoxy-10,10'-bis(4-methoxyphenyl)-9,9'-spirobi[acridine]
SMILESCOc1ccc(N2c3ccc(OC)cc3C3(c4cc(OC)ccc42)c2cc(OC)ccc2N(c2ccc(OC)cc2)c2ccc(OC)cc23)cc1
InChIInChI=1S/C43H38N2O6/c1-46-29-11-7-27(8-12-29)44-39-19-15-31(48-3)23-35(39)43(36-24-32(49-4)16-20-40(36)44)37-25-33(50-5)17-21-41(37)45(28-9-13-30(47-2)14-10-28)42-22-18-34(51-6)26-38(42)43/h7-26H,1-6H3
InChIKeyVIFQSVCPQCYAJL-UHFFFAOYSA-N
MW678.78 g/mol
LogP9.69
Rot. Bonds8

About 2,2',7,7'-tetramethoxy-10,10'-bis(4-methoxyphenyl)-9,9'-spirobi[acridine]

2,2',7,7'-tetramethoxy-10,10'-bis(4-methoxyphenyl)-9,9'-spirobi[acridine] (PubChem CID 102495613) has the molecular formula C43H38N2O6 and a molecular weight of 678.78 g/mol. Its IUPAC name is 2,2',7,7'-tetramethoxy-10,10'-bis(4-methoxyphenyl)-9,9'-spirobi[acridine].

Molecular Properties

Compound Name2,2',7,7'-tetramethoxy-10,10'-bis(4-methoxyphenyl)-9,9'-spirobi[acridine]
PubChem CID102495613
Molecular FormulaC43H38N2O6
Molecular Weight678.78 g/mol
Exact Mass678.27
IUPAC Name2,2',7,7'-tetramethoxy-10,10'-bis(4-methoxyphenyl)-9,9'-spirobi[acridine]
SMILESCOc1ccc(N2c3ccc(OC)cc3C3(c4cc(OC)ccc42)c2cc(OC)ccc2N(c2ccc(OC)cc2)c2ccc(OC)cc23)cc1
InChIInChI=1S/C43H38N2O6/c1-46-29-11-7-27(8-12-29)44-39-19-15-31(48-3)23-35(39)43(36-24-32(49-4)16-20-40(36)44)37-25-33(50-5)17-21-41(37)45(28-9-13-30(47-2)14-10-28)42-22-18-34(51-6)26-38(42)43/h7-26H,1-6H3
InChIKeyVIFQSVCPQCYAJL-UHFFFAOYSA-N
XLogP9.69
TPSA61.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.78
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,2',7,7'-tetramethoxy-10,10'-bis(4-methoxyphenyl)-9,9'-spirobi[acridine] with MolForge

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Related Compounds

9-methoxy-9-(4-methoxyphenyl)-10-phenylacridine
CID 11406722
10-(4-methoxyphenyl)-3,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine
CID 59302117
2',7'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene]
CID 170925493
10-(4-methoxyphenyl)-3,7-bis(10-phenylanthracen-9-yl)phenoxazine
CID 59302133
3-[9,9-dimethyl-10-(4-methylphenyl)acridin-2-yl]-6-[10-(4-methoxyphenyl)-9,9-dimethylacridin-2-yl]furo[3,2-b]furan-2,5-dione
CID 118655432
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
2-methoxy-10-(4-propan-2-ylphenyl)phenothiazine
CID 58293895
3-bromo-5-methoxy-1,3-dimethylindol-2-one
CID 163653219
6,11,16-trimethoxy-22-(4-methoxyphenyl)-8,14-dioxa-22-aza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 147958465
7-N,10-bis(4-methoxyphenyl)-9H-acridine-2,7-diamine
CID 139606608
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
6,11,16-trimethoxy-22-(4-methoxyphenyl)-1-methyl-8,14-dioxa-22-aza-1-silahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 163460193

Frequently Asked Questions

What is the IUPAC name of 2,2',7,7'-tetramethoxy-10,10'-bis(4-methoxyphenyl)-9,9'-spirobi[acridine]?
The IUPAC name of 2,2',7,7'-tetramethoxy-10,10'-bis(4-methoxyphenyl)-9,9'-spirobi[acridine] (CID 102495613) is 2,2',7,7'-tetramethoxy-10,10'-bis(4-methoxyphenyl)-9,9'-spirobi[acridine].
What is the SMILES notation for 2,2',7,7'-tetramethoxy-10,10'-bis(4-methoxyphenyl)-9,9'-spirobi[acridine]?
The canonical SMILES for 2,2',7,7'-tetramethoxy-10,10'-bis(4-methoxyphenyl)-9,9'-spirobi[acridine] is COc1ccc(N2c3ccc(OC)cc3C3(c4cc(OC)ccc42)c2cc(OC)ccc2N(c2ccc(OC)cc2)c2ccc(OC)cc23)cc1.
What is the InChIKey of 2,2',7,7'-tetramethoxy-10,10'-bis(4-methoxyphenyl)-9,9'-spirobi[acridine]?
The InChIKey is VIFQSVCPQCYAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38N2O6/c1-46-29-11-7-27(8-12-29)44-39-19-15-31(48-3)23-35(39)43(36-24-32(49-4)16-20-40(36)44)37-25-33(50-5)17-21-41(37)45(28-9-13-30(47-2)14-10-28)42-22-18-34(51-6)26-38(42)43/h7-26H,1-6H3.
What are the key properties of 2,2',7,7'-tetramethoxy-10,10'-bis(4-methoxyphenyl)-9,9'-spirobi[acridine]?
2,2',7,7'-tetramethoxy-10,10'-bis(4-methoxyphenyl)-9,9'-spirobi[acridine] has a molecular weight of 678.78 g/mol, XLogP of 9.69, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2',7,7'-tetramethoxy-10,10'-bis(4-methoxyphenyl)-9,9'-spirobi[acridine] is sourced from PubChem (CID 102495613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).