6-isocyano-9-[8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-isocyano-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole;3-isocyano-6-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-isocyano-9-(1-propylindazol-5-yl)-6-triphenylen-2-ylcarbazole

C172H104F3N11O3 — CID 159631851

IUPAC6-isocyano-9-[8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-isocyano-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole;3-isocyano-6-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-isocyano-9-(1-propylindazol-5-yl)-6-triphenylen-2-ylcarbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc1n2-c1ccc2c(cnn2CCC)c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccc2oc3ccc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2oc3ccc(-c4cccc(-c5ccccc5)c4)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2oc3ccc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)cc3c2c1
InChIInChI=1S/C49H30N2O.C44H25F3N2O.C41H28N4.C38H21N3O/c1-50-40-20-23-47-43(30-40)42-28-38(33-12-6-3-7-13-33)18-22-46(42)51(47)41-21-25-49-45(31-41)44-29-39(19-24-48(44)52-49)37-17-9-16-36(27-37)35-15-8-14-34(26-35)32-10-4-2-5-11-32;1-48-34-15-18-41-37(25-34)36-24-33(44(45,46)47)14-17-40(36)49(41)35-16-20-43-39(26-35)38-23-32(13-19-42(38)50-43)31-12-6-11-30(22-31)29-10-5-9-28(21-29)27-7-3-2-4-8-27;1-3-20-44-39-19-15-30(21-28(39)25-43-44)45-40-17-13-27(23-37(40)38-24-29(42-2)14-18-41(38)45)26-12-16-35-33-10-5-4-8-31(33)32-9-6-7-11-34(32)36(35)22-26;1-40-29-12-15-36-32(21-29)31-18-24(23-39)10-14-35(31)41(36)30-13-17-38-34(22-30)33-20-28(11-16-37(33)42-38)27-9-5-8-26(19-27)25-6-3-2-4-7-25/h2-31H;2-26H;4-19,21-25H,3,20H2,1H3;2-22H
InChIKeyMPFODXPYHHDPSM-UHFFFAOYSA-N
MW2429.79 g/mol
LogP48.82
Rot. Bonds16

About 6-isocyano-9-[8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-isocyano-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole;3-isocyano-6-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-isocyano-9-(1-propylindazol-5-yl)-6-triphenylen-2-ylcarbazole

6-isocyano-9-[8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-isocyano-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole;3-isocyano-6-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-isocyano-9-(1-propylindazol-5-yl)-6-triphenylen-2-ylcarbazole (PubChem CID 159631851) has the molecular formula C172H104F3N11O3 and a molecular weight of 2429.79 g/mol. Its IUPAC name is 6-isocyano-9-[8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-isocyano-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole;3-isocyano-6-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-isocyano-9-(1-propylindazol-5-yl)-6-triphenylen-2-ylcarbazole.

Molecular Properties

Compound Name6-isocyano-9-[8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-isocyano-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole;3-isocyano-6-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-isocyano-9-(1-propylindazol-5-yl)-6-triphenylen-2-ylcarbazole
PubChem CID159631851
Molecular FormulaC172H104F3N11O3
Molecular Weight2429.79 g/mol
Exact Mass2427.83
IUPAC Name6-isocyano-9-[8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-isocyano-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole;3-isocyano-6-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-isocyano-9-(1-propylindazol-5-yl)-6-triphenylen-2-ylcarbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc1n2-c1ccc2c(cnn2CCC)c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccc2oc3ccc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2oc3ccc(-c4cccc(-c5ccccc5)c4)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2oc3ccc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)cc3c2c1
InChIInChI=1S/C49H30N2O.C44H25F3N2O.C41H28N4.C38H21N3O/c1-50-40-20-23-47-43(30-40)42-28-38(33-12-6-3-7-13-33)18-22-46(42)51(47)41-21-25-49-45(31-41)44-29-39(19-24-48(44)52-49)37-17-9-16-36(27-37)35-15-8-14-34(26-35)32-10-4-2-5-11-32;1-48-34-15-18-41-37(25-34)36-24-33(44(45,46)47)14-17-40(36)49(41)35-16-20-43-39(26-35)38-23-32(13-19-42(38)50-43)31-12-6-11-30(22-31)29-10-5-9-28(21-29)27-7-3-2-4-8-27;1-3-20-44-39-19-15-30(21-28(39)25-43-44)45-40-17-13-27(23-37(40)38-24-29(42-2)14-18-41(38)45)26-12-16-35-33-10-5-4-8-31(33)32-9-6-7-11-34(32)36(35)22-26;1-40-29-12-15-36-32(21-29)31-18-24(23-39)10-14-35(31)41(36)30-13-17-38-34(22-30)33-20-28(11-16-37(33)42-38)27-9-5-8-26(19-27)25-6-3-2-4-7-25/h2-31H;2-26H;4-19,21-25H,3,20H2,1H3;2-22H
InChIKeyMPFODXPYHHDPSM-UHFFFAOYSA-N
XLogP48.82
TPSA118.19 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms189
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002429.79
LogP ≤ 548.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-isocyano-9-[8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-isocyano-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole;3-isocyano-6-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-isocyano-9-(1-propylindazol-5-yl)-6-triphenylen-2-ylcarbazole with MolForge

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Related Compounds

N-[[7-(1-benzofuran-2-yl)-5-[(2,6-difluorophenyl)methyl]-3-phenylmethoxypyrazolo[4,3-c]quinolin-8-yl]methyl]-N-methyl-1-phenylmethanamine
CID 23505913
4,7-Bis(10-tert-butyl-[1]benzofuro[2,3-b]carbazol-7-yl)-1,1,3,3-tetrafluoro-2-benzofuran-5,6-dicarbonitrile
CID 122609757
14-[[4-[1-[2-[2-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-1-ium-1-yl]ethyl]quinolin-1-ium-2-yl]dibenzofuran-3-yl]methyl]-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123796450
14-[2,5-Bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139552785
14-[2,5-Bis(2-carbazol-9-ylpropan-2-yl)-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139552831
14-[2,5-Bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139552875
5-[[3-([1]Benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]methyl]-[1]benzofuro[3,2-c]carbazole
CID 139553146
14-[2,5-Bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(3-fluorophenyl)-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139553623
2-[5-(2-Cyanophenyl)-2,4-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-3,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 139553753
2-[5-(2-Cyanophenyl)-2,4-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-3-(trifluoromethyl)phenyl]benzonitrile
CID 139553768
2-[3-(2-Cyanophenyl)-4,6-bis(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-2-(trifluoromethyl)phenyl]benzonitrile
CID 139553769
9-[8-[9-(5-Carbazol-9-yl-3-pyridinyl)carbazol-3-yl]dibenzofuran-2-yl]-3,6-bis(trifluoromethyl)carbazole
CID 145703027

Frequently Asked Questions

What is the IUPAC name of 6-isocyano-9-[8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-isocyano-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole;3-isocyano-6-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-isocyano-9-(1-propylindazol-5-yl)-6-triphenylen-2-ylcarbazole?
The IUPAC name of 6-isocyano-9-[8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-isocyano-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole;3-isocyano-6-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-isocyano-9-(1-propylindazol-5-yl)-6-triphenylen-2-ylcarbazole (CID 159631851) is 6-isocyano-9-[8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-isocyano-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole;3-isocyano-6-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-isocyano-9-(1-propylindazol-5-yl)-6-triphenylen-2-ylcarbazole.
What is the SMILES notation for 6-isocyano-9-[8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-isocyano-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole;3-isocyano-6-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-isocyano-9-(1-propylindazol-5-yl)-6-triphenylen-2-ylcarbazole?
The canonical SMILES for 6-isocyano-9-[8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-isocyano-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole;3-isocyano-6-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-isocyano-9-(1-propylindazol-5-yl)-6-triphenylen-2-ylcarbazole is [C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc1n2-c1ccc2c(cnn2CCC)c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccc2oc3ccc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2oc3ccc(-c4cccc(-c5ccccc5)c4)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2oc3ccc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)cc3c2c1.
What is the InChIKey of 6-isocyano-9-[8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-isocyano-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole;3-isocyano-6-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-isocyano-9-(1-propylindazol-5-yl)-6-triphenylen-2-ylcarbazole?
The InChIKey is MPFODXPYHHDPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O.C44H25F3N2O.C41H28N4.C38H21N3O/c1-50-40-20-23-47-43(30-40)42-28-38(33-12-6-3-7-13-33)18-22-46(42)51(47)41-21-25-49-45(31-41)44-29-39(19-24-48(44)52-49)37-17-9-16-36(27-37)35-15-8-14-34(26-35)32-10-4-2-5-11-32;1-48-34-15-18-41-37(25-34)36-24-33(44(45,46)47)14-17-40(36)49(41)35-16-20-43-39(26-35)38-23-32(13-19-42(38)50-43)31-12-6-11-30(22-31)29-10-5-9-28(21-29)27-7-3-2-4-8-27;1-3-20-44-39-19-15-30(21-28(39)25-43-44)45-40-17-13-27(23-37(40)38-24-29(42-2)14-18-41(38)45)26-12-16-35-33-10-5-4-8-31(33)32-9-6-7-11-34(32)36(35)22-26;1-40-29-12-15-36-32(21-29)31-18-24(23-39)10-14-35(31)41(36)30-13-17-38-34(22-30)33-20-28(11-16-37(33)42-38)27-9-5-8-26(19-27)25-6-3-2-4-7-25/h2-31H;2-26H;4-19,21-25H,3,20H2,1H3;2-22H.
What are the key properties of 6-isocyano-9-[8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-isocyano-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole;3-isocyano-6-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-isocyano-9-(1-propylindazol-5-yl)-6-triphenylen-2-ylcarbazole?
6-isocyano-9-[8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-isocyano-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole;3-isocyano-6-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-isocyano-9-(1-propylindazol-5-yl)-6-triphenylen-2-ylcarbazole has a molecular weight of 2429.79 g/mol, XLogP of 48.82, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isocyano-9-[8-(3-phenylphenyl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-isocyano-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]-6-(trifluoromethyl)carbazole;3-isocyano-6-phenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-isocyano-9-(1-propylindazol-5-yl)-6-triphenylen-2-ylcarbazole is sourced from PubChem (CID 159631851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).