3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-carbazol-9-yl-5-(4-isocyanophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;6-[5-dibenzofuran-4-yl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalene-2-carbonitrile

C206H125N15O — CID 157475906

IUPAC3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-carbazol-9-yl-5-(4-isocyanophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;6-[5-dibenzofuran-4-yl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4c(-c5cccc6c5oc5ccccc56)cccc43)ccc2c1.[C-]#[N+]c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)c1.[C-]#[N+]c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C55H34N4.C53H31N3O.2C49H30N4/c1-56-40-27-23-36(24-28-40)39-31-42(58-50-19-9-5-15-44(50)45-16-6-10-20-51(45)58)35-43(32-39)59-53-22-12-8-18-47(53)49-34-38(26-30-55(49)59)37-25-29-54-48(33-37)46-17-7-11-21-52(46)57(54)41-13-3-2-4-14-41;54-32-33-20-21-35-29-39(25-22-34(35)28-33)56-49-27-24-37(36-23-26-48-45(30-36)40-12-4-6-17-47(40)55(48)38-10-2-1-3-11-38)31-46(49)52-42(14-9-18-50(52)56)44-16-8-15-43-41-13-5-7-19-51(41)57-53(43)44;1-50-34-29-36(52-44-19-9-5-15-38(44)39-16-6-10-20-45(39)52)31-37(30-34)53-46-21-11-7-17-40(46)42-25-23-33(28-49(42)53)32-24-26-48-43(27-32)41-18-8-12-22-47(41)51(48)35-13-3-2-4-14-35;1-50-34-29-36(52-44-19-9-5-15-38(44)39-16-6-10-20-45(39)52)31-37(30-34)53-47-22-12-8-18-41(47)43-28-33(24-26-49(43)53)32-23-25-48-42(27-32)40-17-7-11-21-46(40)51(48)35-13-3-2-4-14-35/h2-35H;1-31H;2*2-31H
InChIKeyBVOYKSOUDCDARE-UHFFFAOYSA-N
MW2826.37 g/mol
LogP55.39
Rot. Bonds17

About 3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-carbazol-9-yl-5-(4-isocyanophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;6-[5-dibenzofuran-4-yl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalene-2-carbonitrile

3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-carbazol-9-yl-5-(4-isocyanophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;6-[5-dibenzofuran-4-yl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalene-2-carbonitrile (PubChem CID 157475906) has the molecular formula C206H125N15O and a molecular weight of 2826.37 g/mol. Its IUPAC name is 3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-carbazol-9-yl-5-(4-isocyanophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;6-[5-dibenzofuran-4-yl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-carbazol-9-yl-5-(4-isocyanophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;6-[5-dibenzofuran-4-yl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalene-2-carbonitrile
PubChem CID157475906
Molecular FormulaC206H125N15O
Molecular Weight2826.37 g/mol
Exact Mass2824.02
IUPAC Name3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-carbazol-9-yl-5-(4-isocyanophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;6-[5-dibenzofuran-4-yl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4c(-c5cccc6c5oc5ccccc56)cccc43)ccc2c1.[C-]#[N+]c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)c1.[C-]#[N+]c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C55H34N4.C53H31N3O.2C49H30N4/c1-56-40-27-23-36(24-28-40)39-31-42(58-50-19-9-5-15-44(50)45-16-6-10-20-51(45)58)35-43(32-39)59-53-22-12-8-18-47(53)49-34-38(26-30-55(49)59)37-25-29-54-48(33-37)46-17-7-11-21-52(46)57(54)41-13-3-2-4-14-41;54-32-33-20-21-35-29-39(25-22-34(35)28-33)56-49-27-24-37(36-23-26-48-45(30-36)40-12-4-6-17-47(40)55(48)38-10-2-1-3-11-38)31-46(49)52-42(14-9-18-50(52)56)44-16-8-15-43-41-13-5-7-19-51(41)57-53(43)44;1-50-34-29-36(52-44-19-9-5-15-38(44)39-16-6-10-20-45(39)52)31-37(30-34)53-46-21-11-7-17-40(46)42-25-23-33(28-49(42)53)32-24-26-48-43(27-32)41-18-8-12-22-47(41)51(48)35-13-3-2-4-14-35;1-50-34-29-36(52-44-19-9-5-15-38(44)39-16-6-10-20-45(39)52)31-37(30-34)53-47-22-12-8-18-41(47)43-28-33(24-26-49(43)53)32-23-25-48-42(27-32)40-17-7-11-21-46(40)51(48)35-13-3-2-4-14-35/h2-35H;1-31H;2*2-31H
InChIKeyBVOYKSOUDCDARE-UHFFFAOYSA-N
XLogP55.39
TPSA104.24 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002826.37
LogP ≤ 555.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-carbazol-9-yl-5-(4-isocyanophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;6-[5-dibenzofuran-4-yl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalene-2-carbonitrile with MolForge

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Related Compounds

9-[3-[2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-5-isocyanophenyl]carbazole-3-carbonitrile
CID 140823056
3-(4-carbazol-9-ylphenyl)-6-isocyano-9-naphthalen-2-ylcarbazole;2-dibenzofuran-4-yl-9-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole;2-dibenzofuran-4-yl-9-[4-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158487434
3-[3-[4-(7-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile
CID 129087220
4-[9-(6-isocyanophenanthren-3-yl)carbazol-3-yl]-9-phenylcarbazole;6-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-2-carbonitrile;7-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 162198701
5-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-3,11-diphenylindolo[3,2-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-11-naphthalen-2-ylindolo[3,2-b]carbazole
CID 159976213
9-[4-[4-(3-dibenzofuran-4-yl-6-isocyanocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]carbazole-3-carbonitrile
CID 140850505
2-[9-(3-dibenzofuran-4-yl-5-phenylphenyl)carbazol-4-yl]-9-phenyl-6-[7-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-3-yl]carbazole
CID 167269862
5-[3-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-cyanophenyl]-[1]benzofuro[3,2-c]carbazole-2-carbonitrile;3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-(3-isocyano-[1]benzofuro[2,3-a]carbazol-12-yl)benzonitrile;3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(2-isocyano-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;3-(2-isocyano-[1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-(12-phenyl-12H-indeno[1,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 165106485
4-[4-(20-carbazol-9-yl-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18(23),19,21,26-dodecaen-6-yl)phenyl]benzonitrile;5-[24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]-2-isocyanobenzonitrile;4-[3-[24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]-5-(4-isocyanophenyl)phenyl]benzonitrile;4-[4-[24-phenyl-20-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18(23),19,21,26-dodecaen-6-yl]phenyl]benzonitrile
CID 158845087
9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)carbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)carbazole;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 158836336
9-[9-[3-(4-isocyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 140760238
6-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-2-[6-[9-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazol-2-yl]dibenzofuran-3-yl]-9-(4-naphthalen-2-ylphenyl)carbazole
CID 156576285

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-carbazol-9-yl-5-(4-isocyanophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;6-[5-dibenzofuran-4-yl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalene-2-carbonitrile?
The IUPAC name of 3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-carbazol-9-yl-5-(4-isocyanophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;6-[5-dibenzofuran-4-yl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalene-2-carbonitrile (CID 157475906) is 3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-carbazol-9-yl-5-(4-isocyanophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;6-[5-dibenzofuran-4-yl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalene-2-carbonitrile.
What is the SMILES notation for 3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-carbazol-9-yl-5-(4-isocyanophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;6-[5-dibenzofuran-4-yl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalene-2-carbonitrile?
The canonical SMILES for 3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-carbazol-9-yl-5-(4-isocyanophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;6-[5-dibenzofuran-4-yl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalene-2-carbonitrile is N#Cc1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4c(-c5cccc6c5oc5ccccc56)cccc43)ccc2c1.[C-]#[N+]c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)c1.[C-]#[N+]c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-carbazol-9-yl-5-(4-isocyanophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;6-[5-dibenzofuran-4-yl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalene-2-carbonitrile?
The InChIKey is BVOYKSOUDCDARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4.C53H31N3O.2C49H30N4/c1-56-40-27-23-36(24-28-40)39-31-42(58-50-19-9-5-15-44(50)45-16-6-10-20-51(45)58)35-43(32-39)59-53-22-12-8-18-47(53)49-34-38(26-30-55(49)59)37-25-29-54-48(33-37)46-17-7-11-21-52(46)57(54)41-13-3-2-4-14-41;54-32-33-20-21-35-29-39(25-22-34(35)28-33)56-49-27-24-37(36-23-26-48-45(30-36)40-12-4-6-17-47(40)55(48)38-10-2-1-3-11-38)31-46(49)52-42(14-9-18-50(52)56)44-16-8-15-43-41-13-5-7-19-51(41)57-53(43)44;1-50-34-29-36(52-44-19-9-5-15-38(44)39-16-6-10-20-45(39)52)31-37(30-34)53-46-21-11-7-17-40(46)42-25-23-33(28-49(42)53)32-24-26-48-43(27-32)41-18-8-12-22-47(41)51(48)35-13-3-2-4-14-35;1-50-34-29-36(52-44-19-9-5-15-38(44)39-16-6-10-20-45(39)52)31-37(30-34)53-47-22-12-8-18-41(47)43-28-33(24-26-49(43)53)32-23-25-48-42(27-32)40-17-7-11-21-46(40)51(48)35-13-3-2-4-14-35/h2-35H;1-31H;2*2-31H.
What are the key properties of 3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-carbazol-9-yl-5-(4-isocyanophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;6-[5-dibenzofuran-4-yl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalene-2-carbonitrile?
3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-carbazol-9-yl-5-(4-isocyanophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;6-[5-dibenzofuran-4-yl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalene-2-carbonitrile has a molecular weight of 2826.37 g/mol, XLogP of 55.39, 17 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-carbazol-9-yl-5-(4-isocyanophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;6-[5-dibenzofuran-4-yl-3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalene-2-carbonitrile is sourced from PubChem (CID 157475906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).