2-[[7-(9,9-dimethylfluoren-2-yl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]benzo[b]acridin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(3,5-diphenylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12,18,18-tetramethyl-1-azahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5(10),6,8,13,15,17(25),19,21,23-undecaen-7-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

C185H138N4O8 — CID 158434322

IUPAC2-[[7-(9,9-dimethylfluoren-2-yl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]benzo[b]acridin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(3,5-diphenylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12,18,18-tetramethyl-1-azahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5(10),6,8,13,15,17(25),19,21,23-undecaen-7-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESCC1(C)c2ccccc2-c2ccc(N3c4ccccc4C(C)(C)c4c3ccc3cc(C=C5C(=O)c6cc7ccccc7cc6C5=O)ccc43)cc21.CC1(C)c2ccccc2N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccc3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc3c21.CC1(C)c2ccccc2N2c3ccc4cc(C=C5C(=O)c6cc7ccccc7cc6C5=O)ccc4c3C(C)(C)c3cccc1c32.CCC(C)(C)c1ccc(N2c3ccccc3C(C)(C)c3cc4cc(C=C5C(=O)c6cc7ccccc7cc6C5=O)ccc4cc32)cc1
InChIInChI=1S/C51H35NO2.C48H35NO2.C44H37NO2.C42H31NO2/c1-51(2)45-19-11-12-20-46(45)52(40-28-38(33-13-5-3-6-14-33)27-39(29-40)34-15-7-4-8-16-34)47-24-22-37-25-32(21-23-41(37)48(47)51)26-44-49(53)42-30-35-17-9-10-18-36(35)31-43(42)50(44)54;1-47(2)39-14-8-7-13-34(39)35-21-19-32(27-41(35)47)49-42-16-10-9-15-40(42)48(3,4)44-33-20-17-28(23-31(33)18-22-43(44)49)24-38-45(50)36-25-29-11-5-6-12-30(29)26-37(36)46(38)51;1-6-43(2,3)32-17-19-33(20-18-32)45-39-14-10-9-13-37(39)44(4,5)38-25-31-21-27(15-16-30(31)26-40(38)45)22-36-41(46)34-23-28-11-7-8-12-29(28)24-35(34)42(36)47;1-41(2)32-12-7-8-15-35(32)43-36-19-17-27-20-24(16-18-28(27)37(36)42(3,4)34-14-9-13-33(41)38(34)43)21-31-39(44)29-22-25-10-5-6-11-26(25)23-30(29)40(31)45/h3-31H,1-2H3;5-27H,1-4H3;7-26H,6H2,1-5H3;5-23H,1-4H3
InChIKeyHCARKCKOXJQHJW-UHFFFAOYSA-N
MW2545.16 g/mol
LogP46.23
Rot. Bonds11

About 2-[[7-(9,9-dimethylfluoren-2-yl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]benzo[b]acridin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(3,5-diphenylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12,18,18-tetramethyl-1-azahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5(10),6,8,13,15,17(25),19,21,23-undecaen-7-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[[7-(9,9-dimethylfluoren-2-yl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]benzo[b]acridin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(3,5-diphenylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12,18,18-tetramethyl-1-azahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5(10),6,8,13,15,17(25),19,21,23-undecaen-7-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 158434322) has the molecular formula C185H138N4O8 and a molecular weight of 2545.16 g/mol. Its IUPAC name is 2-[[7-(9,9-dimethylfluoren-2-yl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]benzo[b]acridin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(3,5-diphenylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12,18,18-tetramethyl-1-azahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5(10),6,8,13,15,17(25),19,21,23-undecaen-7-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

Compound Name2-[[7-(9,9-dimethylfluoren-2-yl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]benzo[b]acridin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(3,5-diphenylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12,18,18-tetramethyl-1-azahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5(10),6,8,13,15,17(25),19,21,23-undecaen-7-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
PubChem CID158434322
Molecular FormulaC185H138N4O8
Molecular Weight2545.16 g/mol
Exact Mass2543.05
IUPAC Name2-[[7-(9,9-dimethylfluoren-2-yl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]benzo[b]acridin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(3,5-diphenylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12,18,18-tetramethyl-1-azahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5(10),6,8,13,15,17(25),19,21,23-undecaen-7-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESCC1(C)c2ccccc2-c2ccc(N3c4ccccc4C(C)(C)c4c3ccc3cc(C=C5C(=O)c6cc7ccccc7cc6C5=O)ccc43)cc21.CC1(C)c2ccccc2N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccc3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc3c21.CC1(C)c2ccccc2N2c3ccc4cc(C=C5C(=O)c6cc7ccccc7cc6C5=O)ccc4c3C(C)(C)c3cccc1c32.CCC(C)(C)c1ccc(N2c3ccccc3C(C)(C)c3cc4cc(C=C5C(=O)c6cc7ccccc7cc6C5=O)ccc4cc32)cc1
InChIInChI=1S/C51H35NO2.C48H35NO2.C44H37NO2.C42H31NO2/c1-51(2)45-19-11-12-20-46(45)52(40-28-38(33-13-5-3-6-14-33)27-39(29-40)34-15-7-4-8-16-34)47-24-22-37-25-32(21-23-41(37)48(47)51)26-44-49(53)42-30-35-17-9-10-18-36(35)31-43(42)50(44)54;1-47(2)39-14-8-7-13-34(39)35-21-19-32(27-41(35)47)49-42-16-10-9-15-40(42)48(3,4)44-33-20-17-28(23-31(33)18-22-43(44)49)24-38-45(50)36-25-29-11-5-6-12-30(29)26-37(36)46(38)51;1-6-43(2,3)32-17-19-33(20-18-32)45-39-14-10-9-13-37(39)44(4,5)38-25-31-21-27(15-16-30(31)26-40(38)45)22-36-41(46)34-23-28-11-7-8-12-29(28)24-35(34)42(36)47;1-41(2)32-12-7-8-15-35(32)43-36-19-17-27-20-24(16-18-28(27)37(36)42(3,4)34-14-9-13-33(41)38(34)43)21-31-39(44)29-22-25-10-5-6-11-26(25)23-30(29)40(31)45/h3-31H,1-2H3;5-27H,1-4H3;7-26H,6H2,1-5H3;5-23H,1-4H3
InChIKeyHCARKCKOXJQHJW-UHFFFAOYSA-N
XLogP46.23
TPSA149.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms197
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002545.16
LogP ≤ 546.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[[7-(9,9-dimethylfluoren-2-yl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]benzo[b]acridin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(3,5-diphenylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12,18,18-tetramethyl-1-azahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5(10),6,8,13,15,17(25),19,21,23-undecaen-7-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(9,9-dimethylfluoren-2-yl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]benzo[b]acridin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(3,5-diphenylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12,18,18-tetramethyl-1-azahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5(10),6,8,13,15,17(25),19,21,23-undecaen-7-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The IUPAC name of 2-[[7-(9,9-dimethylfluoren-2-yl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]benzo[b]acridin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(3,5-diphenylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12,18,18-tetramethyl-1-azahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5(10),6,8,13,15,17(25),19,21,23-undecaen-7-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 158434322) is 2-[[7-(9,9-dimethylfluoren-2-yl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]benzo[b]acridin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(3,5-diphenylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12,18,18-tetramethyl-1-azahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5(10),6,8,13,15,17(25),19,21,23-undecaen-7-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.
What is the SMILES notation for 2-[[7-(9,9-dimethylfluoren-2-yl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]benzo[b]acridin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(3,5-diphenylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12,18,18-tetramethyl-1-azahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5(10),6,8,13,15,17(25),19,21,23-undecaen-7-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The canonical SMILES for 2-[[7-(9,9-dimethylfluoren-2-yl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]benzo[b]acridin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(3,5-diphenylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12,18,18-tetramethyl-1-azahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5(10),6,8,13,15,17(25),19,21,23-undecaen-7-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is CC1(C)c2ccccc2-c2ccc(N3c4ccccc4C(C)(C)c4c3ccc3cc(C=C5C(=O)c6cc7ccccc7cc6C5=O)ccc43)cc21.CC1(C)c2ccccc2N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccc3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc3c21.CC1(C)c2ccccc2N2c3ccc4cc(C=C5C(=O)c6cc7ccccc7cc6C5=O)ccc4c3C(C)(C)c3cccc1c32.CCC(C)(C)c1ccc(N2c3ccccc3C(C)(C)c3cc4cc(C=C5C(=O)c6cc7ccccc7cc6C5=O)ccc4cc32)cc1.
What is the InChIKey of 2-[[7-(9,9-dimethylfluoren-2-yl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]benzo[b]acridin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(3,5-diphenylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12,18,18-tetramethyl-1-azahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5(10),6,8,13,15,17(25),19,21,23-undecaen-7-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The InChIKey is HCARKCKOXJQHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NO2.C48H35NO2.C44H37NO2.C42H31NO2/c1-51(2)45-19-11-12-20-46(45)52(40-28-38(33-13-5-3-6-14-33)27-39(29-40)34-15-7-4-8-16-34)47-24-22-37-25-32(21-23-41(37)48(47)51)26-44-49(53)42-30-35-17-9-10-18-36(35)31-43(42)50(44)54;1-47(2)39-14-8-7-13-34(39)35-21-19-32(27-41(35)47)49-42-16-10-9-15-40(42)48(3,4)44-33-20-17-28(23-31(33)18-22-43(44)49)24-38-45(50)36-25-29-11-5-6-12-30(29)26-37(36)46(38)51;1-6-43(2,3)32-17-19-33(20-18-32)45-39-14-10-9-13-37(39)44(4,5)38-25-31-21-27(15-16-30(31)26-40(38)45)22-36-41(46)34-23-28-11-7-8-12-29(28)24-35(34)42(36)47;1-41(2)32-12-7-8-15-35(32)43-36-19-17-27-20-24(16-18-28(27)37(36)42(3,4)34-14-9-13-33(41)38(34)43)21-31-39(44)29-22-25-10-5-6-11-26(25)23-30(29)40(31)45/h3-31H,1-2H3;5-27H,1-4H3;7-26H,6H2,1-5H3;5-23H,1-4H3.
What are the key properties of 2-[[7-(9,9-dimethylfluoren-2-yl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]benzo[b]acridin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(3,5-diphenylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12,18,18-tetramethyl-1-azahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5(10),6,8,13,15,17(25),19,21,23-undecaen-7-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
2-[[7-(9,9-dimethylfluoren-2-yl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]benzo[b]acridin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(3,5-diphenylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12,18,18-tetramethyl-1-azahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5(10),6,8,13,15,17(25),19,21,23-undecaen-7-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 2545.16 g/mol, XLogP of 46.23, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(9,9-dimethylfluoren-2-yl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[12,12-dimethyl-5-[4-(2-methylbutan-2-yl)phenyl]benzo[b]acridin-9-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-(3,5-diphenylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(12,12,18,18-tetramethyl-1-azahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5(10),6,8,13,15,17(25),19,21,23-undecaen-7-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 158434322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).