5-[9-[2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-isocyano-4-(3-isocyanophenyl)phenyl]-7-(3,5-diisocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzonitrile;4-[9-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[2-(3,5-diisocyanophenyl)carbazol-9-yl]-4-isocyano-5-(3-isocyanophenyl)phenyl]carbazol-2-yl]-5-isocyanobenzonitrile

C248H112N40 — CID 161061923

About 5-[9-[2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-isocyano-4-(3-isocyanophenyl)phenyl]-7-(3,5-diisocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzonitrile;4-[9-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[2-(3,5-diisocyanophenyl)carbazol-9-yl]-4-isocyano-5-(3-isocyanophenyl)phenyl]carbazol-2-yl]-5-isocyanobenzonitrile

5-[9-[2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-isocyano-4-(3-isocyanophenyl)phenyl]-7-(3,5-diisocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzonitrile;4-[9-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[2-(3,5-diisocyanophenyl)carbazol-9-yl]-4-isocyano-5-(3-isocyanophenyl)phenyl]carbazol-2-yl]-5-isocyanobenzonitrile (PubChem CID 161061923) has the molecular formula C248H112N40 and a molecular weight of 3651.90 g/mol. Its IUPAC name is 5-[9-[2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-isocyano-4-(3-isocyanophenyl)phenyl]-7-(3,5-diisocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzonitrile;4-[9-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[2-(3,5-diisocyanophenyl)carbazol-9-yl]-4-isocyano-5-(3-isocyanophenyl)phenyl]carbazol-2-yl]-5-isocyanobenzonitrile.

Molecular Properties

• Compound Name: 5-[9-[2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-isocyano-4-(3-isocyanophenyl)phenyl]-7-(3,5-diisocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzonitrile;4-[9-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[2-(3,5-diisocyanophenyl)carbazol-9-yl]-4-isocyano-5-(3-isocyanophenyl)phenyl]carbazol-2-yl]-5-isocyanobenzonitrile
• PubChem CID: 161061923
• Molecular Formula: C248H112N40
• Molecular Weight: 3651.90 g/mol
• Exact Mass: 3649.00
• IUPAC Name: 5-[9-[2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-isocyano-4-(3-isocyanophenyl)phenyl]-7-(3,5-diisocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzonitrile;4-[9-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[2-(3,5-diisocyanophenyl)carbazol-9-yl]-4-isocyano-5-(3-isocyanophenyl)phenyl]carbazol-2-yl]-5-isocyanobenzonitrile
• SMILES: [C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc([N+]#[C-])c(-c3cccc(C#N)c3)cc2-n2c3ccccc3c3cc(-c4cc(C#N)cc([N+]#[C-])c4)ccc32)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc([N+]#[C-])c5)cc4n(-c4cc(-c5cccc([N+]#[C-])c5)c([N+]#[C-])cc4-n4c5cc(-c6cc(C#N)cc(C#N)c6)ccc5c5ccc(-c6cc([N+]#[C-])cc([N+]#[C-])c6)cc54)c3c2)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c4ccccc4n(-c4cc(-c5cccc([N+]#[C-])c5)c([N+]#[C-])cc4-n4c5ccccc5c5ccc(-c6cc([N+]#[C-])cc([N+]#[C-])c6)cc54)c3c2)c1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4[N+]#[C-])ccc2n3-c2cc([N+]#[C-])c(-c3cccc(C#N)c3)cc2-n2c3ccc(-c4ccc(C#N)cc4C#N)cc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1
• InChI: InChI=1S/2C70H30N12.2C54H26N8/c1-75-54-9-7-8-49(25-54)63-35-69(81-65-31-46(51-21-43(39-73)23-55(26-51)76-2)11-15-59(65)60-16-12-47(32-66(60)81)52-22-44(40-74)24-56(27-52)77-3)70(36-64(63)80-6)82-67-30-45(50-19-41(37-71)18-42(20-50)38-72)10-14-61(67)62-17-13-48(33-68(62)82)53-28-57(78-4)34-58(29-53)79-5;1-78-53-14-18-56(52(27-53)40-77)48-12-21-67-61(30-48)62-31-49(57-17-9-44(37-74)26-63(57)79-2)13-22-68(62)82(67)70-33-64(80-3)58(45-6-4-5-41(23-45)34-71)32-69(70)81-65-19-10-46(54-15-7-42(35-72)24-50(54)38-75)28-59(65)60-29-47(11-20-66(60)81)55-16-8-43(36-73)25-51(55)39-76;1-56-39-12-10-11-36(23-39)47-30-53(61-49-15-8-6-13-43(49)45-19-17-34(27-51(45)61)37-21-33(32-55)22-40(24-37)57-2)54(31-48(47)60-5)62-50-16-9-7-14-44(50)46-20-18-35(28-52(46)62)38-25-41(58-3)29-42(26-38)59-4;1-58-41-22-34(31-56)20-39(24-41)36-15-17-51-46(26-36)43-11-4-6-13-49(43)61(51)53-28-45(38-10-8-9-33(19-38)30-55)48(60-3)29-54(53)62-50-14-7-5-12-44(50)47-27-37(16-18-52(47)62)40-21-35(32-57)23-42(25-40)59-2/h7-36H;4-33H;6-31H;4-29H
• InChIKey: UDMXPIXQVFIDLI-UHFFFAOYSA-N
• XLogP: 65.63
• TPSA: 470.41 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 288
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3651.90
LogP ≤ 5	65.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 5-[9-[2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-isocyano-4-(3-isocyanophenyl)phenyl]-7-(3,5-diisocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzonitrile;4-[9-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[2-(3,5-diisocyanophenyl)carbazol-9-yl]-4-isocyano-5-(3-isocyanophenyl)phenyl]carbazol-2-yl]-5-isocyanobenzonitrile?

The IUPAC name of 5-[9-[2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-isocyano-4-(3-isocyanophenyl)phenyl]-7-(3,5-diisocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzonitrile;4-[9-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[2-(3,5-diisocyanophenyl)carbazol-9-yl]-4-isocyano-5-(3-isocyanophenyl)phenyl]carbazol-2-yl]-5-isocyanobenzonitrile (CID 161061923) is 5-[9-[2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-isocyano-4-(3-isocyanophenyl)phenyl]-7-(3,5-diisocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzonitrile;4-[9-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[2-(3,5-diisocyanophenyl)carbazol-9-yl]-4-isocyano-5-(3-isocyanophenyl)phenyl]carbazol-2-yl]-5-isocyanobenzonitrile.

What is the SMILES notation for 5-[9-[2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-isocyano-4-(3-isocyanophenyl)phenyl]-7-(3,5-diisocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzonitrile;4-[9-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[2-(3,5-diisocyanophenyl)carbazol-9-yl]-4-isocyano-5-(3-isocyanophenyl)phenyl]carbazol-2-yl]-5-isocyanobenzonitrile?

The canonical SMILES for 5-[9-[2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-isocyano-4-(3-isocyanophenyl)phenyl]-7-(3,5-diisocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzonitrile;4-[9-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[2-(3,5-diisocyanophenyl)carbazol-9-yl]-4-isocyano-5-(3-isocyanophenyl)phenyl]carbazol-2-yl]-5-isocyanobenzonitrile is [C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc([N+]#[C-])c(-c3cccc(C#N)c3)cc2-n2c3ccccc3c3cc(-c4cc(C#N)cc([N+]#[C-])c4)ccc32)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc([N+]#[C-])c5)cc4n(-c4cc(-c5cccc([N+]#[C-])c5)c([N+]#[C-])cc4-n4c5cc(-c6cc(C#N)cc(C#N)c6)ccc5c5ccc(-c6cc([N+]#[C-])cc([N+]#[C-])c6)cc54)c3c2)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c4ccccc4n(-c4cc(-c5cccc([N+]#[C-])c5)c([N+]#[C-])cc4-n4c5ccccc5c5ccc(-c6cc([N+]#[C-])cc([N+]#[C-])c6)cc54)c3c2)c1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4[N+]#[C-])ccc2n3-c2cc([N+]#[C-])c(-c3cccc(C#N)c3)cc2-n2c3ccc(-c4ccc(C#N)cc4C#N)cc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1.

What is the InChIKey of 5-[9-[2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-isocyano-4-(3-isocyanophenyl)phenyl]-7-(3,5-diisocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzonitrile;4-[9-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[2-(3,5-diisocyanophenyl)carbazol-9-yl]-4-isocyano-5-(3-isocyanophenyl)phenyl]carbazol-2-yl]-5-isocyanobenzonitrile?

The InChIKey is UDMXPIXQVFIDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C70H30N12.2C54H26N8/c1-75-54-9-7-8-49(25-54)63-35-69(81-65-31-46(51-21-43(39-73)23-55(26-51)76-2)11-15-59(65)60-16-12-47(32-66(60)81)52-22-44(40-74)24-56(27-52)77-3)70(36-64(63)80-6)82-67-30-45(50-19-41(37-71)18-42(20-50)38-72)10-14-61(67)62-17-13-48(33-68(62)82)53-28-57(78-4)34-58(29-53)79-5;1-78-53-14-18-56(52(27-53)40-77)48-12-21-67-61(30-48)62-31-49(57-17-9-44(37-74)26-63(57)79-2)13-22-68(62)82(67)70-33-64(80-3)58(45-6-4-5-41(23-45)34-71)32-69(70)81-65-19-10-46(54-15-7-42(35-72)24-50(54)38-75)28-59(65)60-29-47(11-20-66(60)81)55-16-8-43(36-73)25-51(55)39-76;1-56-39-12-10-11-36(23-39)47-30-53(61-49-15-8-6-13-43(49)45-19-17-34(27-51(45)61)37-21-33(32-55)22-40(24-37)57-2)54(31-48(47)60-5)62-50-16-9-7-14-44(50)46-20-18-35(28-52(46)62)38-25-41(58-3)29-42(26-38)59-4;1-58-41-22-34(31-56)20-39(24-41)36-15-17-51-46(26-36)43-11-4-6-13-49(43)61(51)53-28-45(38-10-8-9-33(19-38)30-55)48(60-3)29-54(53)62-50-14-7-5-12-44(50)47-27-37(16-18-52(47)62)40-21-35(32-57)23-42(25-40)59-2/h7-36H;4-33H;6-31H;4-29H.

What are the key properties of 5-[9-[2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-isocyano-4-(3-isocyanophenyl)phenyl]-7-(3,5-diisocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzonitrile;4-[9-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[2-(3,5-diisocyanophenyl)carbazol-9-yl]-4-isocyano-5-(3-isocyanophenyl)phenyl]carbazol-2-yl]-5-isocyanobenzonitrile?

5-[9-[2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-isocyano-4-(3-isocyanophenyl)phenyl]-7-(3,5-diisocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzonitrile;4-[9-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[2-(3,5-diisocyanophenyl)carbazol-9-yl]-4-isocyano-5-(3-isocyanophenyl)phenyl]carbazol-2-yl]-5-isocyanobenzonitrile has a molecular weight of 3651.90 g/mol, XLogP of 65.63, 24 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-[2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-isocyano-4-(3-isocyanophenyl)phenyl]-7-(3,5-diisocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzonitrile;4-[9-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[2-(3,5-diisocyanophenyl)carbazol-9-yl]-4-isocyano-5-(3-isocyanophenyl)phenyl]carbazol-2-yl]-5-isocyanobenzonitrile is sourced from PubChem (CID 161061923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).