4-(9,9-dimethylacridin-10-yl)-3-[2-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;4-(9,9-dimethylacridin-10-yl)-3-[4-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;10-[2-[5-(9,9-dimethylacridin-10-yl)-2-isocyanophenyl]-4-pyridinyl]-9,9-dimethylacridine;10-[5-[4-(9,9-dimethylacridin-10-yl)-3-isocyanophenyl]-2-pyridinyl]-9,9-dimethylacridine

C168H136N16 — CID 158420519

IUPAC4-(9,9-dimethylacridin-10-yl)-3-[2-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;4-(9,9-dimethylacridin-10-yl)-3-[4-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;10-[2-[5-(9,9-dimethylacridin-10-yl)-2-isocyanophenyl]-4-pyridinyl]-9,9-dimethylacridine;10-[5-[4-(9,9-dimethylacridin-10-yl)-3-isocyanophenyl]-2-pyridinyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc(C#N)cc2-c2cccnc2N2c3ccccc3C(C)(C)c3ccccc32)c2ccccc21.CC1(C)c2ccccc2N(c2ccncc2-c2cc(C#N)ccc2N2c3ccccc3C(C)(C)c3ccccc32)c2ccccc21.[C-]#[N+]c1cc(-c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)nc2)ccc1N1c2ccccc2C(C)(C)c2ccccc21.[C-]#[N+]c1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1-c1cc(N2c3ccccc3C(C)(C)c3ccccc32)ccn1
InChIInChI=1S/4C42H34N4/c1-41(2)30-14-6-10-18-35(30)45(36-19-11-7-15-31(36)41)39-24-22-28(26-34(39)43-5)29-23-25-40(44-27-29)46-37-20-12-8-16-32(37)42(3,4)33-17-9-13-21-38(33)46;1-41(2)31-14-6-10-18-37(31)45(38-19-11-7-15-32(38)41)28-22-23-35(43-5)30(26-28)36-27-29(24-25-44-36)46-39-20-12-8-16-33(39)42(3,4)34-17-9-13-21-40(34)46;1-41(2)31-15-5-9-19-36(31)45(37-20-10-6-16-32(37)41)35-24-23-28(27-43)26-30(35)29-14-13-25-44-40(29)46-38-21-11-7-17-33(38)42(3,4)34-18-8-12-22-39(34)46;1-41(2)31-13-5-9-17-37(31)45(38-18-10-6-14-32(38)41)35-22-21-28(26-43)25-29(35)30-27-44-24-23-36(30)46-39-19-11-7-15-33(39)42(3,4)34-16-8-12-20-40(34)46/h2*6-27H,1-4H3;5-26H,1-4H3;5-25,27H,1-4H3
InChIKeyHAKYIAVABPHRNU-UHFFFAOYSA-N
MW2379.05 g/mol
LogP44.71
Rot. Bonds12

About 4-(9,9-dimethylacridin-10-yl)-3-[2-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;4-(9,9-dimethylacridin-10-yl)-3-[4-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;10-[2-[5-(9,9-dimethylacridin-10-yl)-2-isocyanophenyl]-4-pyridinyl]-9,9-dimethylacridine;10-[5-[4-(9,9-dimethylacridin-10-yl)-3-isocyanophenyl]-2-pyridinyl]-9,9-dimethylacridine

4-(9,9-dimethylacridin-10-yl)-3-[2-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;4-(9,9-dimethylacridin-10-yl)-3-[4-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;10-[2-[5-(9,9-dimethylacridin-10-yl)-2-isocyanophenyl]-4-pyridinyl]-9,9-dimethylacridine;10-[5-[4-(9,9-dimethylacridin-10-yl)-3-isocyanophenyl]-2-pyridinyl]-9,9-dimethylacridine (PubChem CID 158420519) has the molecular formula C168H136N16 and a molecular weight of 2379.05 g/mol. Its IUPAC name is 4-(9,9-dimethylacridin-10-yl)-3-[2-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;4-(9,9-dimethylacridin-10-yl)-3-[4-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;10-[2-[5-(9,9-dimethylacridin-10-yl)-2-isocyanophenyl]-4-pyridinyl]-9,9-dimethylacridine;10-[5-[4-(9,9-dimethylacridin-10-yl)-3-isocyanophenyl]-2-pyridinyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name4-(9,9-dimethylacridin-10-yl)-3-[2-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;4-(9,9-dimethylacridin-10-yl)-3-[4-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;10-[2-[5-(9,9-dimethylacridin-10-yl)-2-isocyanophenyl]-4-pyridinyl]-9,9-dimethylacridine;10-[5-[4-(9,9-dimethylacridin-10-yl)-3-isocyanophenyl]-2-pyridinyl]-9,9-dimethylacridine
PubChem CID158420519
Molecular FormulaC168H136N16
Molecular Weight2379.05 g/mol
Exact Mass2377.11
IUPAC Name4-(9,9-dimethylacridin-10-yl)-3-[2-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;4-(9,9-dimethylacridin-10-yl)-3-[4-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;10-[2-[5-(9,9-dimethylacridin-10-yl)-2-isocyanophenyl]-4-pyridinyl]-9,9-dimethylacridine;10-[5-[4-(9,9-dimethylacridin-10-yl)-3-isocyanophenyl]-2-pyridinyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc(C#N)cc2-c2cccnc2N2c3ccccc3C(C)(C)c3ccccc32)c2ccccc21.CC1(C)c2ccccc2N(c2ccncc2-c2cc(C#N)ccc2N2c3ccccc3C(C)(C)c3ccccc32)c2ccccc21.[C-]#[N+]c1cc(-c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)nc2)ccc1N1c2ccccc2C(C)(C)c2ccccc21.[C-]#[N+]c1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1-c1cc(N2c3ccccc3C(C)(C)c3ccccc32)ccn1
InChIInChI=1S/4C42H34N4/c1-41(2)30-14-6-10-18-35(30)45(36-19-11-7-15-31(36)41)39-24-22-28(26-34(39)43-5)29-23-25-40(44-27-29)46-37-20-12-8-16-32(37)42(3,4)33-17-9-13-21-38(33)46;1-41(2)31-14-6-10-18-37(31)45(38-19-11-7-15-32(38)41)28-22-23-35(43-5)30(26-28)36-27-29(24-25-44-36)46-39-20-12-8-16-33(39)42(3,4)34-17-9-13-21-40(34)46;1-41(2)31-15-5-9-19-36(31)45(37-20-10-6-16-32(37)41)35-24-23-28(27-43)26-30(35)29-14-13-25-44-40(29)46-38-21-11-7-17-33(38)42(3,4)34-18-8-12-22-39(34)46;1-41(2)31-13-5-9-17-37(31)45(38-18-10-6-14-32(38)41)35-22-21-28(26-43)25-29(35)30-27-44-24-23-36(30)46-39-19-11-7-15-33(39)42(3,4)34-16-8-12-20-40(34)46/h2*6-27H,1-4H3;5-26H,1-4H3;5-25,27H,1-4H3
InChIKeyHAKYIAVABPHRNU-UHFFFAOYSA-N
XLogP44.71
TPSA133.78 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002379.05
LogP ≤ 544.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4-(9,9-dimethylacridin-10-yl)-3-[2-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;4-(9,9-dimethylacridin-10-yl)-3-[4-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;10-[2-[5-(9,9-dimethylacridin-10-yl)-2-isocyanophenyl]-4-pyridinyl]-9,9-dimethylacridine;10-[5-[4-(9,9-dimethylacridin-10-yl)-3-isocyanophenyl]-2-pyridinyl]-9,9-dimethylacridine with MolForge

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Related Compounds

4-carbazol-9-yl-5-[4-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-3-pyridinyl]-2-(9,9-dimethylacridin-10-yl)benzonitrile;2-(9,9-dimethylacridin-10-yl)-5-[4-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;4-(9,9-dimethylacridin-10-yl)-3-[6-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;10-[5-[5-(9,9-dimethylacridin-10-yl)-2-isocyanophenyl]-2-pyridinyl]-9,9-dimethylacridine
CID 160909122
10-[2-(2-isocyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-4-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 153433639
2-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-4-carbonitrile
CID 146542724
10-[3-[2-(3,4-diisocyanophenyl)phenyl]-5-pyrido[4,3-b]indol-5-ylphenyl]-9,9-dimethylacridine;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile;2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile;3-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]-5-isocyanobenzonitrile
CID 161425675
5-[2-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-isocyanophenyl]-4-pyridinyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 153433654
10-[5-(2-isocyano-5-phenoxazin-10-ylphenyl)-2-pyridinyl]phenoxazine
CID 153433592
3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146542714
4-isocyano-3-(5-phenyl-2-pyridinyl)benzonitrile
CID 168822091
5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146543342
4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile
CID 134579025
4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
CID 155298681
9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile;9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]-6-isocyanocarbazole-3-carbonitrile;5-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole-8-carbonitrile;10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine
CID 159907283

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylacridin-10-yl)-3-[2-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;4-(9,9-dimethylacridin-10-yl)-3-[4-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;10-[2-[5-(9,9-dimethylacridin-10-yl)-2-isocyanophenyl]-4-pyridinyl]-9,9-dimethylacridine;10-[5-[4-(9,9-dimethylacridin-10-yl)-3-isocyanophenyl]-2-pyridinyl]-9,9-dimethylacridine?
The IUPAC name of 4-(9,9-dimethylacridin-10-yl)-3-[2-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;4-(9,9-dimethylacridin-10-yl)-3-[4-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;10-[2-[5-(9,9-dimethylacridin-10-yl)-2-isocyanophenyl]-4-pyridinyl]-9,9-dimethylacridine;10-[5-[4-(9,9-dimethylacridin-10-yl)-3-isocyanophenyl]-2-pyridinyl]-9,9-dimethylacridine (CID 158420519) is 4-(9,9-dimethylacridin-10-yl)-3-[2-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;4-(9,9-dimethylacridin-10-yl)-3-[4-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;10-[2-[5-(9,9-dimethylacridin-10-yl)-2-isocyanophenyl]-4-pyridinyl]-9,9-dimethylacridine;10-[5-[4-(9,9-dimethylacridin-10-yl)-3-isocyanophenyl]-2-pyridinyl]-9,9-dimethylacridine.
What is the SMILES notation for 4-(9,9-dimethylacridin-10-yl)-3-[2-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;4-(9,9-dimethylacridin-10-yl)-3-[4-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;10-[2-[5-(9,9-dimethylacridin-10-yl)-2-isocyanophenyl]-4-pyridinyl]-9,9-dimethylacridine;10-[5-[4-(9,9-dimethylacridin-10-yl)-3-isocyanophenyl]-2-pyridinyl]-9,9-dimethylacridine?
The canonical SMILES for 4-(9,9-dimethylacridin-10-yl)-3-[2-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;4-(9,9-dimethylacridin-10-yl)-3-[4-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;10-[2-[5-(9,9-dimethylacridin-10-yl)-2-isocyanophenyl]-4-pyridinyl]-9,9-dimethylacridine;10-[5-[4-(9,9-dimethylacridin-10-yl)-3-isocyanophenyl]-2-pyridinyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc(C#N)cc2-c2cccnc2N2c3ccccc3C(C)(C)c3ccccc32)c2ccccc21.CC1(C)c2ccccc2N(c2ccncc2-c2cc(C#N)ccc2N2c3ccccc3C(C)(C)c3ccccc32)c2ccccc21.[C-]#[N+]c1cc(-c2ccc(N3c4ccccc4C(C)(C)c4ccccc43)nc2)ccc1N1c2ccccc2C(C)(C)c2ccccc21.[C-]#[N+]c1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1-c1cc(N2c3ccccc3C(C)(C)c3ccccc32)ccn1.
What is the InChIKey of 4-(9,9-dimethylacridin-10-yl)-3-[2-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;4-(9,9-dimethylacridin-10-yl)-3-[4-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;10-[2-[5-(9,9-dimethylacridin-10-yl)-2-isocyanophenyl]-4-pyridinyl]-9,9-dimethylacridine;10-[5-[4-(9,9-dimethylacridin-10-yl)-3-isocyanophenyl]-2-pyridinyl]-9,9-dimethylacridine?
The InChIKey is HAKYIAVABPHRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C42H34N4/c1-41(2)30-14-6-10-18-35(30)45(36-19-11-7-15-31(36)41)39-24-22-28(26-34(39)43-5)29-23-25-40(44-27-29)46-37-20-12-8-16-32(37)42(3,4)33-17-9-13-21-38(33)46;1-41(2)31-14-6-10-18-37(31)45(38-19-11-7-15-32(38)41)28-22-23-35(43-5)30(26-28)36-27-29(24-25-44-36)46-39-20-12-8-16-33(39)42(3,4)34-17-9-13-21-40(34)46;1-41(2)31-15-5-9-19-36(31)45(37-20-10-6-16-32(37)41)35-24-23-28(27-43)26-30(35)29-14-13-25-44-40(29)46-38-21-11-7-17-33(38)42(3,4)34-18-8-12-22-39(34)46;1-41(2)31-13-5-9-17-37(31)45(38-18-10-6-14-32(38)41)35-22-21-28(26-43)25-29(35)30-27-44-24-23-36(30)46-39-19-11-7-15-33(39)42(3,4)34-16-8-12-20-40(34)46/h2*6-27H,1-4H3;5-26H,1-4H3;5-25,27H,1-4H3.
What are the key properties of 4-(9,9-dimethylacridin-10-yl)-3-[2-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;4-(9,9-dimethylacridin-10-yl)-3-[4-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;10-[2-[5-(9,9-dimethylacridin-10-yl)-2-isocyanophenyl]-4-pyridinyl]-9,9-dimethylacridine;10-[5-[4-(9,9-dimethylacridin-10-yl)-3-isocyanophenyl]-2-pyridinyl]-9,9-dimethylacridine?
4-(9,9-dimethylacridin-10-yl)-3-[2-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;4-(9,9-dimethylacridin-10-yl)-3-[4-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;10-[2-[5-(9,9-dimethylacridin-10-yl)-2-isocyanophenyl]-4-pyridinyl]-9,9-dimethylacridine;10-[5-[4-(9,9-dimethylacridin-10-yl)-3-isocyanophenyl]-2-pyridinyl]-9,9-dimethylacridine has a molecular weight of 2379.05 g/mol, XLogP of 44.71, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylacridin-10-yl)-3-[2-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;4-(9,9-dimethylacridin-10-yl)-3-[4-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;10-[2-[5-(9,9-dimethylacridin-10-yl)-2-isocyanophenyl]-4-pyridinyl]-9,9-dimethylacridine;10-[5-[4-(9,9-dimethylacridin-10-yl)-3-isocyanophenyl]-2-pyridinyl]-9,9-dimethylacridine is sourced from PubChem (CID 158420519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).