10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine;3-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one;10-phenylspiro[acridine-9,10'-anthracene]-9'-one

C103H79N3O5S — CID 165012871

IUPAC10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine;3-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one;10-phenylspiro[acridine-9,10'-anthracene]-9'-one
SMILESCC1(C)c2ccccc2C(c2ccc3c(=O)c4ccccc4oc3c2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(S(=O)(=O)c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)cc2)c2ccccc21.O=C1c2ccccc2C2(c3ccccc31)c1ccccc1N(c1ccccc1)c1ccccc12
InChIInChI=1S/C42H36N2O2S.C32H21NO.C29H22O2/c1-41(2)33-13-5-9-17-37(33)43(38-18-10-6-14-34(38)41)29-21-25-31(26-22-29)47(45,46)32-27-23-30(24-28-32)44-39-19-11-7-15-35(39)42(3,4)36-16-8-12-20-40(36)44;34-31-23-14-4-6-16-25(23)32(26-17-7-5-15-24(26)31)27-18-8-10-20-29(27)33(22-12-2-1-3-13-22)30-21-11-9-19-28(30)32;1-29(2)23-12-6-3-9-19(23)27(20-10-4-7-13-24(20)29)18-15-16-22-26(17-18)31-25-14-8-5-11-21(25)28(22)30/h5-28H,1-4H3;1-21H;3-17,27H,1-2H3
InChIKeyJYUBBWJEOMZHIT-UHFFFAOYSA-N
MW1470.85 g/mol
LogP24.90
Rot. Bonds6

About 10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine;3-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one;10-phenylspiro[acridine-9,10'-anthracene]-9'-one

10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine;3-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one;10-phenylspiro[acridine-9,10'-anthracene]-9'-one (PubChem CID 165012871) has the molecular formula C103H79N3O5S and a molecular weight of 1470.85 g/mol. Its IUPAC name is 10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine;3-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one;10-phenylspiro[acridine-9,10'-anthracene]-9'-one.

Molecular Properties

Compound Name10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine;3-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one;10-phenylspiro[acridine-9,10'-anthracene]-9'-one
PubChem CID165012871
Molecular FormulaC103H79N3O5S
Molecular Weight1470.85 g/mol
Exact Mass1469.57
IUPAC Name10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine;3-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one;10-phenylspiro[acridine-9,10'-anthracene]-9'-one
SMILESCC1(C)c2ccccc2C(c2ccc3c(=O)c4ccccc4oc3c2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(S(=O)(=O)c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)cc2)c2ccccc21.O=C1c2ccccc2C2(c3ccccc31)c1ccccc1N(c1ccccc1)c1ccccc12
InChIInChI=1S/C42H36N2O2S.C32H21NO.C29H22O2/c1-41(2)33-13-5-9-17-37(33)43(38-18-10-6-14-34(38)41)29-21-25-31(26-22-29)47(45,46)32-27-23-30(24-28-32)44-39-19-11-7-15-35(39)42(3,4)36-16-8-12-20-40(36)44;34-31-23-14-4-6-16-25(23)32(26-17-7-5-15-24(26)31)27-18-8-10-20-29(27)33(22-12-2-1-3-13-22)30-21-11-9-19-28(30)32;1-29(2)23-12-6-3-9-19(23)27(20-10-4-7-13-24(20)29)18-15-16-22-26(17-18)31-25-14-8-5-11-21(25)28(22)30/h5-28H,1-4H3;1-21H;3-17,27H,1-2H3
InChIKeyJYUBBWJEOMZHIT-UHFFFAOYSA-N
XLogP24.90
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001470.85
LogP ≤ 524.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine;3-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one;10-phenylspiro[acridine-9,10'-anthracene]-9'-one with MolForge

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Related Compounds

10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine;3-(9,9-dimethylacridin-10-yl)xanthen-9-one;5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine;10-phenylspiro[acridine-9,10'-anthracene]-9'-one
CID 159708858
3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one
CID 121337021
3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione
CID 164765363
3-spiro[acridine-9,9'-thioxanthene]-10-ylxanthen-9-one
CID 121337039
21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one
CID 164838773
21,21-dimethyl-14-phenylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-anthracene]-9'-one
CID 71249599
14'-phenylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,10'-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-21-one
CID 164757668
3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione
CID 164765311
2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine
CID 132504403
10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one
CID 140898964
14-dibenzofuran-3-yl-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 144670341
2-[4-(benzenesulfonyl)phenyl]-7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridine
CID 134579034

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine;3-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one;10-phenylspiro[acridine-9,10'-anthracene]-9'-one?
The IUPAC name of 10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine;3-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one;10-phenylspiro[acridine-9,10'-anthracene]-9'-one (CID 165012871) is 10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine;3-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one;10-phenylspiro[acridine-9,10'-anthracene]-9'-one.
What is the SMILES notation for 10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine;3-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one;10-phenylspiro[acridine-9,10'-anthracene]-9'-one?
The canonical SMILES for 10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine;3-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one;10-phenylspiro[acridine-9,10'-anthracene]-9'-one is CC1(C)c2ccccc2C(c2ccc3c(=O)c4ccccc4oc3c2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(S(=O)(=O)c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)cc2)c2ccccc21.O=C1c2ccccc2C2(c3ccccc31)c1ccccc1N(c1ccccc1)c1ccccc12.
What is the InChIKey of 10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine;3-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one;10-phenylspiro[acridine-9,10'-anthracene]-9'-one?
The InChIKey is JYUBBWJEOMZHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N2O2S.C32H21NO.C29H22O2/c1-41(2)33-13-5-9-17-37(33)43(38-18-10-6-14-34(38)41)29-21-25-31(26-22-29)47(45,46)32-27-23-30(24-28-32)44-39-19-11-7-15-35(39)42(3,4)36-16-8-12-20-40(36)44;34-31-23-14-4-6-16-25(23)32(26-17-7-5-15-24(26)31)27-18-8-10-20-29(27)33(22-12-2-1-3-13-22)30-21-11-9-19-28(30)32;1-29(2)23-12-6-3-9-19(23)27(20-10-4-7-13-24(20)29)18-15-16-22-26(17-18)31-25-14-8-5-11-21(25)28(22)30/h5-28H,1-4H3;1-21H;3-17,27H,1-2H3.
What are the key properties of 10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine;3-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one;10-phenylspiro[acridine-9,10'-anthracene]-9'-one?
10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine;3-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one;10-phenylspiro[acridine-9,10'-anthracene]-9'-one has a molecular weight of 1470.85 g/mol, XLogP of 24.90, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine;3-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one;10-phenylspiro[acridine-9,10'-anthracene]-9'-one is sourced from PubChem (CID 165012871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).