7,7,13-trimethyl-12-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-4a,13a-dihydroindolo[3,2-c]acridine

C59H42N2O — CID 146249961

IUPAC7,7,13-trimethyl-12-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-4a,13a-dihydroindolo[3,2-c]acridine
SMILESCN1c2c(ccc3c2N(c2cccc4c2oc2c5c(ccc24)C2(c4ccccc4-c4ccccc42)c2ccc4c6c(ccc-5c26)CC4)c2ccccc2C3(C)C)C2C=CC=CC21
InChIInChI=1S/C59H42N2O/c1-58(2)44-19-9-11-21-49(44)61(55-47(58)32-28-38-37-15-6-10-20-48(37)60(3)54(38)55)50-22-12-16-39-40-29-31-46-53(57(40)62-56(39)50)41-27-25-33-23-24-34-26-30-45(52(41)51(33)34)59(46)42-17-7-4-13-35(42)36-14-5-8-18-43(36)59/h4-22,25-32,37,48H,23-24H2,1-3H3
InChIKeyKHBNWKMTVKAXFJ-UHFFFAOYSA-N
MW795.00 g/mol
LogP14.32
Rot. Bonds1

About 7,7,13-trimethyl-12-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-4a,13a-dihydroindolo[3,2-c]acridine

7,7,13-trimethyl-12-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-4a,13a-dihydroindolo[3,2-c]acridine (PubChem CID 146249961) has the molecular formula C59H42N2O and a molecular weight of 795.00 g/mol. Its IUPAC name is 7,7,13-trimethyl-12-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-4a,13a-dihydroindolo[3,2-c]acridine.

Molecular Properties

Compound Name7,7,13-trimethyl-12-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-4a,13a-dihydroindolo[3,2-c]acridine
PubChem CID146249961
Molecular FormulaC59H42N2O
Molecular Weight795.00 g/mol
Exact Mass794.33
IUPAC Name7,7,13-trimethyl-12-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-4a,13a-dihydroindolo[3,2-c]acridine
SMILESCN1c2c(ccc3c2N(c2cccc4c2oc2c5c(ccc24)C2(c4ccccc4-c4ccccc42)c2ccc4c6c(ccc-5c26)CC4)c2ccccc2C3(C)C)C2C=CC=CC21
InChIInChI=1S/C59H42N2O/c1-58(2)44-19-9-11-21-49(44)61(55-47(58)32-28-38-37-15-6-10-20-48(37)60(3)54(38)55)50-22-12-16-39-40-29-31-46-53(57(40)62-56(39)50)41-27-25-33-23-24-34-26-30-45(52(41)51(33)34)59(46)42-17-7-4-13-35(42)36-14-5-8-18-43(36)59/h4-22,25-32,37,48H,23-24H2,1-3H3
InChIKeyKHBNWKMTVKAXFJ-UHFFFAOYSA-N
XLogP14.32
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.00
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7,7,13-trimethyl-12-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-4a,13a-dihydroindolo[3,2-c]acridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

21,21-dimethyl-14-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146250001
10,10,21,21-tetramethyl-14-spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,15'-4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene]-6'-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 153278247
10,10-dimethyl-21,21-diphenyl-14-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 153278237
10,10-bis(3,4-dimethylphenyl)-14,14-dimethyl-21-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene-15,9'-fluorene]-6-yl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 153278235
10-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene-15,9'-fluorene]-6-ylphenoxazine
CID 153278213
21,21-dimethyl-14-spiro[4-thiaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146249947
21,21-dimethyl-10,10-diphenyl-14-spiro[4-thiaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146249937
6'-(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-nonaen-14-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,15'-4-thiaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene]
CID 146249988
10,10-dimethyl-21,21-diphenyl-14-spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,15'-4-thiaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene]-6'-yl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146250061
10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine
CID 59399619
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen
CID 158018181
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-4'-amine
CID 167116671

Frequently Asked Questions

What is the IUPAC name of 7,7,13-trimethyl-12-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-4a,13a-dihydroindolo[3,2-c]acridine?
The IUPAC name of 7,7,13-trimethyl-12-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-4a,13a-dihydroindolo[3,2-c]acridine (CID 146249961) is 7,7,13-trimethyl-12-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-4a,13a-dihydroindolo[3,2-c]acridine.
What is the SMILES notation for 7,7,13-trimethyl-12-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-4a,13a-dihydroindolo[3,2-c]acridine?
The canonical SMILES for 7,7,13-trimethyl-12-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-4a,13a-dihydroindolo[3,2-c]acridine is CN1c2c(ccc3c2N(c2cccc4c2oc2c5c(ccc24)C2(c4ccccc4-c4ccccc42)c2ccc4c6c(ccc-5c26)CC4)c2ccccc2C3(C)C)C2C=CC=CC21.
What is the InChIKey of 7,7,13-trimethyl-12-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-4a,13a-dihydroindolo[3,2-c]acridine?
The InChIKey is KHBNWKMTVKAXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2O/c1-58(2)44-19-9-11-21-49(44)61(55-47(58)32-28-38-37-15-6-10-20-48(37)60(3)54(38)55)50-22-12-16-39-40-29-31-46-53(57(40)62-56(39)50)41-27-25-33-23-24-34-26-30-45(52(41)51(33)34)59(46)42-17-7-4-13-35(42)36-14-5-8-18-43(36)59/h4-22,25-32,37,48H,23-24H2,1-3H3.
What are the key properties of 7,7,13-trimethyl-12-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-4a,13a-dihydroindolo[3,2-c]acridine?
7,7,13-trimethyl-12-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-4a,13a-dihydroindolo[3,2-c]acridine has a molecular weight of 795.00 g/mol, XLogP of 14.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,13-trimethyl-12-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,22(26),23-undecaene-15,9'-fluorene]-6-yl-4a,13a-dihydroindolo[3,2-c]acridine is sourced from PubChem (CID 146249961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).