9-dibenzofuran-2-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-4-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-2-yl-3-phenylcarbazole;3-isocyano-9-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazole;3-methyl-9-phenyl-6-[9-phenyl-6-(trifluoromethyl)carbazol-3-yl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-3-carbonitrile

C208H122F13N11O3 — CID 158459560

IUPAC9-dibenzofuran-2-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-4-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-2-yl-3-phenylcarbazole;3-isocyano-9-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazole;3-methyl-9-phenyl-6-[9-phenyl-6-(trifluoromethyl)carbazol-3-yl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-3-carbonitrile
SMILESCc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(C(F)(F)F)ccc3n4-c3ccccc3)ccc1n2-c1ccccc1.Fc1c(F)c(F)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccccc4c3c2)c(F)c1F.Fc1c(F)c(F)c(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2oc2ccccc23)c(F)c1F.N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3cccc(-c4ccccc4)c3)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C43H27N3.C38H25F3N2.C37H23N3.2C30H14F5NO.C30H19NO/c1-44-33-20-23-42-38(27-33)37-26-32(31-14-10-13-30(25-31)29-11-4-2-5-12-29)19-22-41(37)46(42)35-21-24-43-39(28-35)36-17-8-9-18-40(36)45(43)34-15-6-3-7-16-34;1-24-12-16-34-30(20-24)31-21-25(13-17-35(31)42(34)28-8-4-2-5-9-28)26-14-18-36-32(22-26)33-23-27(38(39,40)41)15-19-37(33)43(36)29-10-6-3-7-11-29;38-24-25-15-18-35-31(21-25)33-23-27(17-20-37(33)40(35)29-11-5-2-6-12-29)26-16-19-36-32(22-26)30-13-7-8-14-34(30)39(36)28-9-3-1-4-10-28;31-25-24(26(32)28(34)29(35)27(25)33)15-12-13-21-19(14-15)16-6-1-3-9-20(16)36(21)22-10-5-8-18-17-7-2-4-11-23(17)37-30(18)22;31-26-25(27(32)29(34)30(35)28(26)33)15-9-11-22-19(13-15)17-5-1-3-7-21(17)36(22)16-10-12-24-20(14-16)18-6-2-4-8-23(18)37-24;1-2-8-20(9-3-1)21-14-16-28-25(18-21)23-10-4-6-12-27(23)31(28)22-15-17-30-26(19-22)24-11-5-7-13-29(24)32-30/h2-28H;2-23H,1H3;1-23H;2*1-14H;1-19H
InChIKeyHEZNYYCWNCEJED-UHFFFAOYSA-N
MW3070.31 g/mol
LogP58.50
Rot. Bonds16

About 9-dibenzofuran-2-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-4-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-2-yl-3-phenylcarbazole;3-isocyano-9-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazole;3-methyl-9-phenyl-6-[9-phenyl-6-(trifluoromethyl)carbazol-3-yl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-3-carbonitrile

9-dibenzofuran-2-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-4-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-2-yl-3-phenylcarbazole;3-isocyano-9-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazole;3-methyl-9-phenyl-6-[9-phenyl-6-(trifluoromethyl)carbazol-3-yl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-3-carbonitrile (PubChem CID 158459560) has the molecular formula C208H122F13N11O3 and a molecular weight of 3070.31 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-4-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-2-yl-3-phenylcarbazole;3-isocyano-9-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazole;3-methyl-9-phenyl-6-[9-phenyl-6-(trifluoromethyl)carbazol-3-yl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-4-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-2-yl-3-phenylcarbazole;3-isocyano-9-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazole;3-methyl-9-phenyl-6-[9-phenyl-6-(trifluoromethyl)carbazol-3-yl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-3-carbonitrile
PubChem CID158459560
Molecular FormulaC208H122F13N11O3
Molecular Weight3070.31 g/mol
Exact Mass3067.95
IUPAC Name9-dibenzofuran-2-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-4-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-2-yl-3-phenylcarbazole;3-isocyano-9-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazole;3-methyl-9-phenyl-6-[9-phenyl-6-(trifluoromethyl)carbazol-3-yl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-3-carbonitrile
SMILESCc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(C(F)(F)F)ccc3n4-c3ccccc3)ccc1n2-c1ccccc1.Fc1c(F)c(F)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccccc4c3c2)c(F)c1F.Fc1c(F)c(F)c(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2oc2ccccc23)c(F)c1F.N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3cccc(-c4ccccc4)c3)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C43H27N3.C38H25F3N2.C37H23N3.2C30H14F5NO.C30H19NO/c1-44-33-20-23-42-38(27-33)37-26-32(31-14-10-13-30(25-31)29-11-4-2-5-12-29)19-22-41(37)46(42)35-21-24-43-39(28-35)36-17-8-9-18-40(36)45(43)34-15-6-3-7-16-34;1-24-12-16-34-30(20-24)31-21-25(13-17-35(31)42(34)28-8-4-2-5-9-28)26-14-18-36-32(22-26)33-23-27(38(39,40)41)15-19-37(33)43(36)29-10-6-3-7-11-29;38-24-25-15-18-35-31(21-25)33-23-27(17-20-37(33)40(35)29-11-5-2-6-12-29)26-16-19-36-32(22-26)30-13-7-8-14-34(30)39(36)28-9-3-1-4-10-28;31-25-24(26(32)28(34)29(35)27(25)33)15-12-13-21-19(14-15)16-6-1-3-9-20(16)36(21)22-10-5-8-18-17-7-2-4-11-23(17)37-30(18)22;31-26-25(27(32)29(34)30(35)28(26)33)15-9-11-22-19(13-15)17-5-1-3-7-21(17)36(22)16-10-12-24-20(14-16)18-6-2-4-8-23(18)37-24;1-2-8-20(9-3-1)21-14-16-28-25(18-21)23-10-4-6-12-27(23)31(28)22-15-17-30-26(19-22)24-11-5-7-13-29(24)32-30/h2-28H;2-23H,1H3;1-23H;2*1-14H;1-19H
InChIKeyHEZNYYCWNCEJED-UHFFFAOYSA-N
XLogP58.50
TPSA111.94 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003070.31
LogP ≤ 558.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-4-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-2-yl-3-phenylcarbazole;3-isocyano-9-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazole;3-methyl-9-phenyl-6-[9-phenyl-6-(trifluoromethyl)carbazol-3-yl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-dibenzofuran-2-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-4-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-2-yl-3-phenylcarbazole;3-isocyano-9-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazole;3-methyl-9-phenyl-6-[9-phenyl-6-(trifluoromethyl)carbazol-3-yl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-3-carbonitrile (CID 158459560) is 9-dibenzofuran-2-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-4-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-2-yl-3-phenylcarbazole;3-isocyano-9-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazole;3-methyl-9-phenyl-6-[9-phenyl-6-(trifluoromethyl)carbazol-3-yl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-dibenzofuran-2-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-4-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-2-yl-3-phenylcarbazole;3-isocyano-9-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazole;3-methyl-9-phenyl-6-[9-phenyl-6-(trifluoromethyl)carbazol-3-yl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-dibenzofuran-2-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-4-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-2-yl-3-phenylcarbazole;3-isocyano-9-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazole;3-methyl-9-phenyl-6-[9-phenyl-6-(trifluoromethyl)carbazol-3-yl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-3-carbonitrile is Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(C(F)(F)F)ccc3n4-c3ccccc3)ccc1n2-c1ccccc1.Fc1c(F)c(F)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccccc4c3c2)c(F)c1F.Fc1c(F)c(F)c(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2oc2ccccc23)c(F)c1F.N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3cccc(-c4ccccc4)c3)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 9-dibenzofuran-2-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-4-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-2-yl-3-phenylcarbazole;3-isocyano-9-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazole;3-methyl-9-phenyl-6-[9-phenyl-6-(trifluoromethyl)carbazol-3-yl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-3-carbonitrile?
The InChIKey is HEZNYYCWNCEJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3.C38H25F3N2.C37H23N3.2C30H14F5NO.C30H19NO/c1-44-33-20-23-42-38(27-33)37-26-32(31-14-10-13-30(25-31)29-11-4-2-5-12-29)19-22-41(37)46(42)35-21-24-43-39(28-35)36-17-8-9-18-40(36)45(43)34-15-6-3-7-16-34;1-24-12-16-34-30(20-24)31-21-25(13-17-35(31)42(34)28-8-4-2-5-9-28)26-14-18-36-32(22-26)33-23-27(38(39,40)41)15-19-37(33)43(36)29-10-6-3-7-11-29;38-24-25-15-18-35-31(21-25)33-23-27(17-20-37(33)40(35)29-11-5-2-6-12-29)26-16-19-36-32(22-26)30-13-7-8-14-34(30)39(36)28-9-3-1-4-10-28;31-25-24(26(32)28(34)29(35)27(25)33)15-12-13-21-19(14-15)16-6-1-3-9-20(16)36(21)22-10-5-8-18-17-7-2-4-11-23(17)37-30(18)22;31-26-25(27(32)29(34)30(35)28(26)33)15-9-11-22-19(13-15)17-5-1-3-7-21(17)36(22)16-10-12-24-20(14-16)18-6-2-4-8-23(18)37-24;1-2-8-20(9-3-1)21-14-16-28-25(18-21)23-10-4-6-12-27(23)31(28)22-15-17-30-26(19-22)24-11-5-7-13-29(24)32-30/h2-28H;2-23H,1H3;1-23H;2*1-14H;1-19H.
What are the key properties of 9-dibenzofuran-2-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-4-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-2-yl-3-phenylcarbazole;3-isocyano-9-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazole;3-methyl-9-phenyl-6-[9-phenyl-6-(trifluoromethyl)carbazol-3-yl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-3-carbonitrile?
9-dibenzofuran-2-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-4-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-2-yl-3-phenylcarbazole;3-isocyano-9-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazole;3-methyl-9-phenyl-6-[9-phenyl-6-(trifluoromethyl)carbazol-3-yl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-3-carbonitrile has a molecular weight of 3070.31 g/mol, XLogP of 58.50, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-2-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-4-yl-3-(2,3,4,5,6-pentafluorophenyl)carbazole;9-dibenzofuran-2-yl-3-phenylcarbazole;3-isocyano-9-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazole;3-methyl-9-phenyl-6-[9-phenyl-6-(trifluoromethyl)carbazol-3-yl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 158459560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).