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

C184H124N20 — CID 161425675

IUPAC10-[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
SMILESCC1(C)c2ccccc2N(c2cc(-c3ccccc3-c3c(C#N)cccc3C#N)cc(-n3c4ccccc4c4cnccc43)c2)c2ccccc21.CC1(C)c2ccccc2N(c2cc(-c3ccccc3-c3cc(C#N)ccc3C#N)cc(-n3c4ccccc4c4cnccc43)c2)c2ccccc21.[C-]#[N+]c1cc(C#N)cc(-c2ccccc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4cnccc43)c2)c1.[C-]#[N+]c1ccc(-c2ccccc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4cnccc43)c2)cc1[N+]#[C-]
InChIInChI=1S/4C46H31N5/c1-46(2)38-16-8-11-19-44(38)51(45-20-12-9-17-39(45)46)33-26-31(35-14-6-5-13-34(35)30-21-22-40(47-3)41(27-30)48-4)25-32(28-33)50-42-18-10-7-15-36(42)37-29-49-24-23-43(37)50;1-46(2)40-15-7-10-18-44(40)51(45-19-11-8-16-41(45)46)35-26-32(37-13-5-4-12-36(37)31-22-30(28-47)23-33(24-31)48-3)25-34(27-35)50-42-17-9-6-14-38(42)39-29-49-21-20-43(39)50;1-46(2)39-17-6-9-20-43(39)51(44-21-10-7-18-40(44)46)34-25-32(35-14-3-4-16-37(35)45-30(27-47)12-11-13-31(45)28-48)24-33(26-34)50-41-19-8-5-15-36(41)38-29-49-23-22-42(38)50;1-46(2)40-14-6-9-17-44(40)51(45-18-10-7-15-41(45)46)34-25-32(35-11-3-4-12-36(35)38-23-30(27-47)19-20-31(38)28-48)24-33(26-34)50-42-16-8-5-13-37(42)39-29-49-22-21-43(39)50/h5-29H,1-2H3;4-27,29H,1-2H3;2*3-26,29H,1-2H3
InChIKeyVXIBUIDUXFYOOP-UHFFFAOYSA-N
MW2615.16 g/mol
LogP47.50
Rot. Bonds16

About 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

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 (PubChem CID 161425675) has the molecular formula C184H124N20 and a molecular weight of 2615.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID161425675
Molecular FormulaC184H124N20
Molecular Weight2615.16 g/mol
Exact Mass2613.03
IUPAC Name10-[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
SMILESCC1(C)c2ccccc2N(c2cc(-c3ccccc3-c3c(C#N)cccc3C#N)cc(-n3c4ccccc4c4cnccc43)c2)c2ccccc21.CC1(C)c2ccccc2N(c2cc(-c3ccccc3-c3cc(C#N)ccc3C#N)cc(-n3c4ccccc4c4cnccc43)c2)c2ccccc21.[C-]#[N+]c1cc(C#N)cc(-c2ccccc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4cnccc43)c2)c1.[C-]#[N+]c1ccc(-c2ccccc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4cnccc43)c2)cc1[N+]#[C-]
InChIInChI=1S/4C46H31N5/c1-46(2)38-16-8-11-19-44(38)51(45-20-12-9-17-39(45)46)33-26-31(35-14-6-5-13-34(35)30-21-22-40(47-3)41(27-30)48-4)25-32(28-33)50-42-18-10-7-15-36(42)37-29-49-24-23-43(37)50;1-46(2)40-15-7-10-18-44(40)51(45-19-11-8-16-41(45)46)35-26-32(37-13-5-4-12-36(37)31-22-30(28-47)23-33(24-31)48-3)25-34(27-35)50-42-17-9-6-14-38(42)39-29-49-21-20-43(39)50;1-46(2)39-17-6-9-20-43(39)51(44-21-10-7-18-40(44)46)34-25-32(35-14-3-4-16-37(35)45-30(27-47)12-11-13-31(45)28-48)24-33(26-34)50-41-19-8-5-15-36(41)38-29-49-23-22-42(38)50;1-46(2)40-14-6-9-17-44(40)51(45-18-10-7-15-41(45)46)34-25-32(35-11-3-4-12-36(35)38-23-30(27-47)19-20-31(38)28-48)24-33(26-34)50-42-16-8-5-13-37(42)39-29-49-22-21-43(39)50/h5-29H,1-2H3;4-27,29H,1-2H3;2*3-26,29H,1-2H3
InChIKeyVXIBUIDUXFYOOP-UHFFFAOYSA-N
XLogP47.50
TPSA216.27 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002615.16
LogP ≤ 547.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-[2-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,4-dicarbonitrile
CID 126492630
4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile
CID 126496702
3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile
CID 126496772
2-(3-pyrido[4,3-b]indol-5-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzene-1,3-dicarbonitrile
CID 126496644
5-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzene-1,2,4-tricarbonitrile
CID 126496704
3-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-4,5-diisocyanobenzonitrile;4-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-isocyanobenzene-1,3-dicarbonitrile;10-(4-isocyano-3-pyrido[4,3-b]indol-5-ylphenyl)spiro[acridine-9,9'-fluorene];5-isocyano-4-pyrido[4,3-b]indol-5-yl-2-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;3-pyrido[4,3-b]indol-5-yl-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile
CID 159404542
2-(3-carbazol-9-yl-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-isocyanobenzonitrile
CID 140767611
7'-isocyano-10-(3-pyrido[4,3-b]indol-5-ylphenyl)spiro[acridine-9,9'-fluorene]-2'-carbonitrile
CID 140761302
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
9-[3-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 146542671
9-[3-cyano-2-[2-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604119
9-[3-[2-(2-carbazol-9-yl-6-cyano-3-isocyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155604899

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2N(c2cc(-c3ccccc3-c3c(C#N)cccc3C#N)cc(-n3c4ccccc4c4cnccc43)c2)c2ccccc21.CC1(C)c2ccccc2N(c2cc(-c3ccccc3-c3cc(C#N)ccc3C#N)cc(-n3c4ccccc4c4cnccc43)c2)c2ccccc21.[C-]#[N+]c1cc(C#N)cc(-c2ccccc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4cnccc43)c2)c1.[C-]#[N+]c1ccc(-c2ccccc2-c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(-n3c4ccccc4c4cnccc43)c2)cc1[N+]#[C-].
What is the InChIKey of 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?
The InChIKey is VXIBUIDUXFYOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C46H31N5/c1-46(2)38-16-8-11-19-44(38)51(45-20-12-9-17-39(45)46)33-26-31(35-14-6-5-13-34(35)30-21-22-40(47-3)41(27-30)48-4)25-32(28-33)50-42-18-10-7-15-36(42)37-29-49-24-23-43(37)50;1-46(2)40-15-7-10-18-44(40)51(45-19-11-8-16-41(45)46)35-26-32(37-13-5-4-12-36(37)31-22-30(28-47)23-33(24-31)48-3)25-34(27-35)50-42-17-9-6-14-38(42)39-29-49-21-20-43(39)50;1-46(2)39-17-6-9-20-43(39)51(44-21-10-7-18-40(44)46)34-25-32(35-14-3-4-16-37(35)45-30(27-47)12-11-13-31(45)28-48)24-33(26-34)50-41-19-8-5-15-36(41)38-29-49-23-22-42(38)50;1-46(2)40-14-6-9-17-44(40)51(45-18-10-7-15-41(45)46)34-25-32(35-11-3-4-12-36(35)38-23-30(27-47)19-20-31(38)28-48)24-33(26-34)50-42-16-8-5-13-37(42)39-29-49-22-21-43(39)50/h5-29H,1-2H3;4-27,29H,1-2H3;2*3-26,29H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2615.16 g/mol, XLogP of 47.50, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161425675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).