3-dibenzofuran-2-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;4-[3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9,9-dimethyl-7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile;4-[1-methyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;4-[3-[1-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]benzonitrile;4-[1-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile

C268H168N18O2 — CID 159432907

IUPAC3-dibenzofuran-2-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;4-[3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9,9-dimethyl-7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile;4-[1-methyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;4-[3-[1-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]benzonitrile;4-[1-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc21.Cc1cccc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n(-c3ccc(C#N)cc3)c12.N#Cc1ccc(-c2cccc(-n3c4ccccc4c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c43)c2)cc1.N#Cc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3cccc(-c4ccccc4)c32)cc1.N#Cc1ccc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7oc8ccccc8c7c6)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/2C49H29N3O.C46H31N3.2C43H27N3.C38H25N3/c1-50-35-19-21-37(22-20-35)52-44-13-7-5-11-38(44)40-27-31(15-23-45(40)52)32-16-24-46-41(28-32)42-29-33(17-25-47(42)51(46)36-9-3-2-4-10-36)34-18-26-49-43(30-34)39-12-6-8-14-48(39)53-49;50-30-31-14-20-37(21-15-31)52-46-24-18-33(32-17-23-45-41(26-32)38-10-4-6-12-44(38)51(45)36-8-2-1-3-9-36)27-42(46)43-28-34(19-25-47(43)52)35-16-22-40-39-11-5-7-13-48(39)53-49(40)29-35;1-46(2)40-24-29(28-47)16-20-34(40)35-21-19-33(27-41(35)46)49-43-15-9-7-13-37(43)39-26-31(18-23-45(39)49)30-17-22-44-38(25-30)36-12-6-8-14-42(36)48(44)32-10-4-3-5-11-32;44-28-29-18-22-34(23-19-29)46-42-25-21-32(27-39(42)37-16-9-15-35(43(37)46)30-10-3-1-4-11-30)31-20-24-41-38(26-31)36-14-7-8-17-40(36)45(41)33-12-5-2-6-13-33;44-28-29-23-25-30(26-24-29)31-11-8-14-33(27-31)46-41-22-7-5-16-35(41)37-18-10-20-39(43(37)46)38-19-9-17-36-34-15-4-6-21-40(34)45(42(36)38)32-12-2-1-3-13-32;1-25-8-7-12-32-34-23-28(17-21-37(34)41(38(25)32)30-18-14-26(24-39)15-19-30)27-16-20-36-33(22-27)31-11-5-6-13-35(31)40(36)29-9-3-2-4-10-29/h2-30H;1-29H;3-27H,1-2H3;2*1-27H;2-23H,1H3
InChIKeyLRFBWVGYMDJQPD-UHFFFAOYSA-N
MW3672.42 g/mol
LogP70.28
Rot. Bonds22

About 3-dibenzofuran-2-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;4-[3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9,9-dimethyl-7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile;4-[1-methyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;4-[3-[1-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]benzonitrile;4-[1-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile

3-dibenzofuran-2-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;4-[3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9,9-dimethyl-7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile;4-[1-methyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;4-[3-[1-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]benzonitrile;4-[1-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile (PubChem CID 159432907) has the molecular formula C268H168N18O2 and a molecular weight of 3672.42 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;4-[3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9,9-dimethyl-7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile;4-[1-methyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;4-[3-[1-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]benzonitrile;4-[1-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;4-[3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9,9-dimethyl-7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile;4-[1-methyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;4-[3-[1-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]benzonitrile;4-[1-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
PubChem CID159432907
Molecular FormulaC268H168N18O2
Molecular Weight3672.42 g/mol
Exact Mass3669.36
IUPAC Name3-dibenzofuran-2-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;4-[3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9,9-dimethyl-7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile;4-[1-methyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;4-[3-[1-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]benzonitrile;4-[1-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc21.Cc1cccc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n(-c3ccc(C#N)cc3)c12.N#Cc1ccc(-c2cccc(-n3c4ccccc4c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c43)c2)cc1.N#Cc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3cccc(-c4ccccc4)c32)cc1.N#Cc1ccc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7oc8ccccc8c7c6)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/2C49H29N3O.C46H31N3.2C43H27N3.C38H25N3/c1-50-35-19-21-37(22-20-35)52-44-13-7-5-11-38(44)40-27-31(15-23-45(40)52)32-16-24-46-41(28-32)42-29-33(17-25-47(42)51(46)36-9-3-2-4-10-36)34-18-26-49-43(30-34)39-12-6-8-14-48(39)53-49;50-30-31-14-20-37(21-15-31)52-46-24-18-33(32-17-23-45-41(26-32)38-10-4-6-12-44(38)51(45)36-8-2-1-3-9-36)27-42(46)43-28-34(19-25-47(43)52)35-16-22-40-39-11-5-7-13-48(39)53-49(40)29-35;1-46(2)40-24-29(28-47)16-20-34(40)35-21-19-33(27-41(35)46)49-43-15-9-7-13-37(43)39-26-31(18-23-45(39)49)30-17-22-44-38(25-30)36-12-6-8-14-42(36)48(44)32-10-4-3-5-11-32;44-28-29-18-22-34(23-19-29)46-42-25-21-32(27-39(42)37-16-9-15-35(43(37)46)30-10-3-1-4-11-30)31-20-24-41-38(26-31)36-14-7-8-17-40(36)45(41)33-12-5-2-6-13-33;44-28-29-23-25-30(26-24-29)31-11-8-14-33(27-31)46-41-22-7-5-16-35(41)37-18-10-20-39(43(37)46)38-19-9-17-36-34-15-4-6-21-40(34)45(42(36)38)32-12-2-1-3-13-32;1-25-8-7-12-32-34-23-28(17-21-37(34)41(38(25)32)30-18-14-26(24-39)15-19-30)27-16-20-36-33(22-27)31-11-5-6-13-35(31)40(36)29-9-3-2-4-10-29/h2-30H;1-29H;3-27H,1-2H3;2*1-27H;2-23H,1H3
InChIKeyLRFBWVGYMDJQPD-UHFFFAOYSA-N
XLogP70.28
TPSA208.75 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms288
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003672.42
LogP ≤ 570.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 3-dibenzofuran-2-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;4-[3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9,9-dimethyl-7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile;4-[1-methyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;4-[3-[1-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]benzonitrile;4-[1-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;4-[3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9,9-dimethyl-7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile;4-[1-methyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;4-[3-[1-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]benzonitrile;4-[1-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile?
The IUPAC name of 3-dibenzofuran-2-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;4-[3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9,9-dimethyl-7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile;4-[1-methyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;4-[3-[1-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]benzonitrile;4-[1-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile (CID 159432907) is 3-dibenzofuran-2-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;4-[3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9,9-dimethyl-7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile;4-[1-methyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;4-[3-[1-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]benzonitrile;4-[1-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 3-dibenzofuran-2-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;4-[3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9,9-dimethyl-7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile;4-[1-methyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;4-[3-[1-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]benzonitrile;4-[1-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 3-dibenzofuran-2-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;4-[3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9,9-dimethyl-7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile;4-[1-methyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;4-[3-[1-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]benzonitrile;4-[1-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile is CC1(C)c2cc(C#N)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc21.Cc1cccc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n(-c3ccc(C#N)cc3)c12.N#Cc1ccc(-c2cccc(-n3c4ccccc4c4cccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c43)c2)cc1.N#Cc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3cccc(-c4ccccc4)c32)cc1.N#Cc1ccc(-n2c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7oc8ccccc8c7c6)ccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;4-[3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9,9-dimethyl-7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile;4-[1-methyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;4-[3-[1-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]benzonitrile;4-[1-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile?
The InChIKey is LRFBWVGYMDJQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H29N3O.C46H31N3.2C43H27N3.C38H25N3/c1-50-35-19-21-37(22-20-35)52-44-13-7-5-11-38(44)40-27-31(15-23-45(40)52)32-16-24-46-41(28-32)42-29-33(17-25-47(42)51(46)36-9-3-2-4-10-36)34-18-26-49-43(30-34)39-12-6-8-14-48(39)53-49;50-30-31-14-20-37(21-15-31)52-46-24-18-33(32-17-23-45-41(26-32)38-10-4-6-12-44(38)51(45)36-8-2-1-3-9-36)27-42(46)43-28-34(19-25-47(43)52)35-16-22-40-39-11-5-7-13-48(39)53-49(40)29-35;1-46(2)40-24-29(28-47)16-20-34(40)35-21-19-33(27-41(35)46)49-43-15-9-7-13-37(43)39-26-31(18-23-45(39)49)30-17-22-44-38(25-30)36-12-6-8-14-42(36)48(44)32-10-4-3-5-11-32;44-28-29-18-22-34(23-19-29)46-42-25-21-32(27-39(42)37-16-9-15-35(43(37)46)30-10-3-1-4-11-30)31-20-24-41-38(26-31)36-14-7-8-17-40(36)45(41)33-12-5-2-6-13-33;44-28-29-23-25-30(26-24-29)31-11-8-14-33(27-31)46-41-22-7-5-16-35(41)37-18-10-20-39(43(37)46)38-19-9-17-36-34-15-4-6-21-40(34)45(42(36)38)32-12-2-1-3-13-32;1-25-8-7-12-32-34-23-28(17-21-37(34)41(38(25)32)30-18-14-26(24-39)15-19-30)27-16-20-36-33(22-27)31-11-5-6-13-35(31)40(36)29-9-3-2-4-10-29/h2-30H;1-29H;3-27H,1-2H3;2*1-27H;2-23H,1H3.
What are the key properties of 3-dibenzofuran-2-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;4-[3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9,9-dimethyl-7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile;4-[1-methyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;4-[3-[1-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]benzonitrile;4-[1-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile?
3-dibenzofuran-2-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;4-[3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9,9-dimethyl-7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile;4-[1-methyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;4-[3-[1-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]benzonitrile;4-[1-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile has a molecular weight of 3672.42 g/mol, XLogP of 70.28, 22 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;4-[3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9,9-dimethyl-7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile;4-[1-methyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;4-[3-[1-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]benzonitrile;4-[1-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 159432907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).