2-[[7-[3,5-bis(methylselanyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-[3,5-bis(trimethylsilyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;bis(2-[[7-(3,5-dimethylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione)

C168H136N4O8Se2Si2 — CID 159066507

IUPAC2-[[7-[3,5-bis(methylselanyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-[3,5-bis(trimethylsilyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;bis(2-[[7-(3,5-dimethylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione)
SMILESCC1(C)c2ccccc2N(c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c2ccc3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc3c21.C[Se]c1cc([Se]C)cc(N2c3ccccc3C(C)(C)c3c2ccc2cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc32)c1.Cc1cc(C)cc(N2c3ccccc3C(C)(C)c3c2ccc2cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc32)c1.Cc1cc(C)cc(N2c3ccccc3C(C)(C)c3c2ccc2cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc32)c1
InChIInChI=1S/C45H43NO2Si2.C41H31NO2Se2.2C41H31NO2/c1-45(2)39-15-11-12-16-40(39)46(32-25-33(49(3,4)5)27-34(26-32)50(6,7)8)41-20-18-31-21-28(17-19-35(31)42(41)45)22-38-43(47)36-23-29-13-9-10-14-30(29)24-37(36)44(38)48;1-41(2)35-11-7-8-12-36(35)42(28-21-29(45-3)23-30(22-28)46-4)37-16-14-27-17-24(13-15-31(27)38(37)41)18-34-39(43)32-19-25-9-5-6-10-26(25)20-33(32)40(34)44;2*1-24-17-25(2)19-30(18-24)42-36-12-8-7-11-35(36)41(3,4)38-31-15-13-26(20-29(31)14-16-37(38)42)21-34-39(43)32-22-27-9-5-6-10-28(27)23-33(32)40(34)44/h9-27H,1-8H3;5-23H,1-4H3;2*5-23H,1-4H3
InChIKeyJZCVNQAQWNYAQJ-UHFFFAOYSA-N
MW2553.05 g/mol
LogP39.34
Rot. Bonds12

About 2-[[7-[3,5-bis(methylselanyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-[3,5-bis(trimethylsilyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;bis(2-[[7-(3,5-dimethylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione)

2-[[7-[3,5-bis(methylselanyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-[3,5-bis(trimethylsilyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;bis(2-[[7-(3,5-dimethylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione) (PubChem CID 159066507) has the molecular formula C168H136N4O8Se2Si2 and a molecular weight of 2553.05 g/mol. Its IUPAC name is 2-[[7-[3,5-bis(methylselanyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-[3,5-bis(trimethylsilyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;bis(2-[[7-(3,5-dimethylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione).

Molecular Properties

Compound Name2-[[7-[3,5-bis(methylselanyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-[3,5-bis(trimethylsilyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;bis(2-[[7-(3,5-dimethylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione)
PubChem CID159066507
Molecular FormulaC168H136N4O8Se2Si2
Molecular Weight2553.05 g/mol
Exact Mass2552.82
IUPAC Name2-[[7-[3,5-bis(methylselanyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-[3,5-bis(trimethylsilyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;bis(2-[[7-(3,5-dimethylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione)
SMILESCC1(C)c2ccccc2N(c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c2ccc3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc3c21.C[Se]c1cc([Se]C)cc(N2c3ccccc3C(C)(C)c3c2ccc2cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc32)c1.Cc1cc(C)cc(N2c3ccccc3C(C)(C)c3c2ccc2cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc32)c1.Cc1cc(C)cc(N2c3ccccc3C(C)(C)c3c2ccc2cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc32)c1
InChIInChI=1S/C45H43NO2Si2.C41H31NO2Se2.2C41H31NO2/c1-45(2)39-15-11-12-16-40(39)46(32-25-33(49(3,4)5)27-34(26-32)50(6,7)8)41-20-18-31-21-28(17-19-35(31)42(41)45)22-38-43(47)36-23-29-13-9-10-14-30(29)24-37(36)44(38)48;1-41(2)35-11-7-8-12-36(35)42(28-21-29(45-3)23-30(22-28)46-4)37-16-14-27-17-24(13-15-31(27)38(37)41)18-34-39(43)32-19-25-9-5-6-10-26(25)20-33(32)40(34)44;2*1-24-17-25(2)19-30(18-24)42-36-12-8-7-11-35(36)41(3,4)38-31-15-13-26(20-29(31)14-16-37(38)42)21-34-39(43)32-22-27-9-5-6-10-28(27)23-33(32)40(34)44/h9-27H,1-8H3;5-23H,1-4H3;2*5-23H,1-4H3
InChIKeyJZCVNQAQWNYAQJ-UHFFFAOYSA-N
XLogP39.34
TPSA149.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002553.05
LogP ≤ 539.34
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[[7-[3,5-bis(methylselanyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-[3,5-bis(trimethylsilyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;bis(2-[[7-(3,5-dimethylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione) with MolForge

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Related Compounds

2-[[12,12-dimethyl-7-(3-methylphenyl)benzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 121355532
2-[[12,12-dimethyl-7-(3,4,5-trimethylphenyl)benzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 121355534
2-[[7-(3,5-dimethoxyphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 121359872
2-[[7-(4-tert-butylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 51348973
2-[[12,12-dimethyl-7-(4-phenoxyphenyl)benzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 121355550
2-[[12,12-dimethyl-7-[4-(sulfanylmethyl)phenyl]benzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 134590473
2-[(12,12-dimethyl-10-methylsulfanyl-7-phenylbenzo[a]acridin-3-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 121355530
2-[(9,9-dimethyl-10-phenylacridin-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 154970614
2-[[7-[3-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-1-methylindol-5-yl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 170019114
2-[(2,2-dimethyl-13-phenyl-23-thia-13-azahexacyclo[12.11.0.03,12.04,9.016,24.017,22]pentacosa-1(14),3(12),4(9),5,7,10,15,17,19,21,24-undecaen-7-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 118651420
5,6-dichloro-2-[[7-(4-ethoxyphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]indene-1,3-dione
CID 121355533
(2E)-2-[[7-(4-methoxyphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]benzo[f][1]benzofuran-3-one
CID 121359957

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[3,5-bis(methylselanyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-[3,5-bis(trimethylsilyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;bis(2-[[7-(3,5-dimethylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione)?
The IUPAC name of 2-[[7-[3,5-bis(methylselanyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-[3,5-bis(trimethylsilyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;bis(2-[[7-(3,5-dimethylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione) (CID 159066507) is 2-[[7-[3,5-bis(methylselanyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-[3,5-bis(trimethylsilyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;bis(2-[[7-(3,5-dimethylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione).
What is the SMILES notation for 2-[[7-[3,5-bis(methylselanyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-[3,5-bis(trimethylsilyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;bis(2-[[7-(3,5-dimethylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione)?
The canonical SMILES for 2-[[7-[3,5-bis(methylselanyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-[3,5-bis(trimethylsilyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;bis(2-[[7-(3,5-dimethylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione) is CC1(C)c2ccccc2N(c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c2ccc3cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc3c21.C[Se]c1cc([Se]C)cc(N2c3ccccc3C(C)(C)c3c2ccc2cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc32)c1.Cc1cc(C)cc(N2c3ccccc3C(C)(C)c3c2ccc2cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc32)c1.Cc1cc(C)cc(N2c3ccccc3C(C)(C)c3c2ccc2cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)ccc32)c1.
What is the InChIKey of 2-[[7-[3,5-bis(methylselanyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-[3,5-bis(trimethylsilyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;bis(2-[[7-(3,5-dimethylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione)?
The InChIKey is JZCVNQAQWNYAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H43NO2Si2.C41H31NO2Se2.2C41H31NO2/c1-45(2)39-15-11-12-16-40(39)46(32-25-33(49(3,4)5)27-34(26-32)50(6,7)8)41-20-18-31-21-28(17-19-35(31)42(41)45)22-38-43(47)36-23-29-13-9-10-14-30(29)24-37(36)44(38)48;1-41(2)35-11-7-8-12-36(35)42(28-21-29(45-3)23-30(22-28)46-4)37-16-14-27-17-24(13-15-31(27)38(37)41)18-34-39(43)32-19-25-9-5-6-10-26(25)20-33(32)40(34)44;2*1-24-17-25(2)19-30(18-24)42-36-12-8-7-11-35(36)41(3,4)38-31-15-13-26(20-29(31)14-16-37(38)42)21-34-39(43)32-22-27-9-5-6-10-28(27)23-33(32)40(34)44/h9-27H,1-8H3;5-23H,1-4H3;2*5-23H,1-4H3.
What are the key properties of 2-[[7-[3,5-bis(methylselanyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-[3,5-bis(trimethylsilyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;bis(2-[[7-(3,5-dimethylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione)?
2-[[7-[3,5-bis(methylselanyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-[3,5-bis(trimethylsilyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;bis(2-[[7-(3,5-dimethylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione) has a molecular weight of 2553.05 g/mol, XLogP of 39.34, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[3,5-bis(methylselanyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[7-[3,5-bis(trimethylsilyl)phenyl]-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;bis(2-[[7-(3,5-dimethylphenyl)-12,12-dimethylbenzo[a]acridin-3-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione) is sourced from PubChem (CID 159066507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).