5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzothiazole;5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzoxazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-3-methylcarbazole;3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole

C145H84F3N9O4S3 — CID 159240670

IUPAC5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzothiazole;5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzoxazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-3-methylcarbazole;3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5cc(C(F)(F)F)ccc54)cc3c2c1.Cc1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4oncc4c3)ccc1n2-c1ccc2oc3ccccc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4sncc4c3)ccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C43H27NS2.C38H23F3N2O.C32H17N3O2.C32H17N3OS/c1-26-13-17-39-34(21-26)32-9-2-4-11-38(32)44(39)31-16-20-43-37(25-31)36-24-30(15-19-42(36)46-43)28-8-6-7-27(22-28)29-14-18-41-35(23-29)33-10-3-5-12-40(33)45-41;1-22-10-14-34-28(18-22)26-6-2-4-8-32(26)42(34)24-12-16-36-30(20-24)31-21-25(13-17-37(31)44-36)43-33-9-5-3-7-27(33)29-19-23(38(39,40)41)11-15-35(29)43;1-33-22-8-11-29-26(16-22)25-15-20(19-7-12-30-21(14-19)18-34-37-30)6-10-28(25)35(29)23-9-13-32-27(17-23)24-4-2-3-5-31(24)36-32;1-33-22-8-11-29-26(16-22)25-15-20(19-7-13-32-21(14-19)18-34-37-32)6-10-28(25)35(29)23-9-12-31-27(17-23)24-4-2-3-5-30(24)36-31/h2-25H,1H3;2-21H,1H3;2*2-18H
InChIKeyKUAYNSZJDVYBHL-UHFFFAOYSA-N
MW2169.52 g/mol
LogP42.82
Rot. Bonds9

About 5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzothiazole;5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzoxazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-3-methylcarbazole;3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole

5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzothiazole;5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzoxazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-3-methylcarbazole;3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole (PubChem CID 159240670) has the molecular formula C145H84F3N9O4S3 and a molecular weight of 2169.52 g/mol. Its IUPAC name is 5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzothiazole;5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzoxazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-3-methylcarbazole;3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzothiazole;5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzoxazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-3-methylcarbazole;3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
PubChem CID159240670
Molecular FormulaC145H84F3N9O4S3
Molecular Weight2169.52 g/mol
Exact Mass2167.58
IUPAC Name5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzothiazole;5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzoxazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-3-methylcarbazole;3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5cc(C(F)(F)F)ccc54)cc3c2c1.Cc1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4oncc4c3)ccc1n2-c1ccc2oc3ccccc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4sncc4c3)ccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C43H27NS2.C38H23F3N2O.C32H17N3O2.C32H17N3OS/c1-26-13-17-39-34(21-26)32-9-2-4-11-38(32)44(39)31-16-20-43-37(25-31)36-24-30(15-19-42(36)46-43)28-8-6-7-27(22-28)29-14-18-41-35(23-29)33-10-3-5-12-40(33)45-41;1-22-10-14-34-28(18-22)26-6-2-4-8-32(26)42(34)24-12-16-36-30(20-24)31-21-25(13-17-37(31)44-36)43-33-9-5-3-7-27(33)29-19-23(38(39,40)41)11-15-35(29)43;1-33-22-8-11-29-26(16-22)25-15-20(19-7-12-30-21(14-19)18-34-37-30)6-10-28(25)35(29)23-9-13-32-27(17-23)24-4-2-3-5-31(24)36-32;1-33-22-8-11-29-26(16-22)25-15-20(19-7-13-32-21(14-19)18-34-37-32)6-10-28(25)35(29)23-9-12-31-27(17-23)24-4-2-3-5-30(24)36-31/h2-25H,1H3;2-21H,1H3;2*2-18H
InChIKeyKUAYNSZJDVYBHL-UHFFFAOYSA-N
XLogP42.82
TPSA111.71 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002169.52
LogP ≤ 542.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzothiazole;5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzoxazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-3-methylcarbazole;3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole with MolForge

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Related Compounds

4-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499590
N-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;8-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]dibenzofuran-2-carbonitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline
CID 157862635
5-(1H-inden-2-yl)-2-[6-(3-phenylphenyl)-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-(4-phenyl-2-pyridinyl)-9-(trifluoromethyl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-pyridin-2-yl-10-pyrrol-1-yl-[1]benzofuro[3,2-c]carbazole
CID 157966969
9-[8-[3-Cyano-6-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile;9-dibenzofuran-2-yl-3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6-isocyanocarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-6-isocyanocarbazole-3-carbonitrile;3,6-diisocyano-9-(9-phenylcarbazol-3-yl)carbazole
CID 158828017
12-[4-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 159840085
2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine;2-N,9-dimethyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine;2-N,9-dimethyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine;2-N,9-dimethyl-7-N-[4-(4-methylphenyl)sulfanylphenyl]-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine;2-N,9-dimethyl-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]-7-N-(6,9,9-trimethylfluoren-3-yl)carbazole-2,7-diamine
CID 161580377
9-(6-Carbazol-9-yl-11-dibenzofuran-2-yltriphenylen-2-yl)carbazole;3-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-2-ylcarbazole;4-(3-dibenzofuran-4-yl-5-dibenzothiophen-4-ylphenyl)dibenzofuran;2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenylcarbazole;2-[8-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[3-[2-(9-phenylcarbazol-3-yl)propan-2-yl]phenyl]dibenzothiophen-2-yl]-4,5-dimethyl-1,3-thiazole;3-isocyano-9-[3-[9-[7-(trifluoromethyl)dibenzofuran-3-yl]carbazol-3-yl]phenyl]carbazole
CID 162112510
9-[8-[8-[3-[8-(8-Carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole
CID 58038561
3-Phenyl-9-(8-phenyldibenzofuran-2-yl)-6-[6-phenyl-9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole
CID 58511020
3,6-Di(carbazol-9-yl)-9-[8-(8-phenyldibenzothiophen-2-yl)dibenzofuran-2-yl]carbazole
CID 89505220
3,6-Di(carbazol-9-yl)-9-(8-dibenzothiophen-2-yldibenzofuran-2-yl)carbazole
CID 89505263
8-[3-(9-Dibenzothiophen-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine
CID 89850054

Frequently Asked Questions

What is the IUPAC name of 5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzothiazole;5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzoxazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-3-methylcarbazole;3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzothiazole;5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzoxazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-3-methylcarbazole;3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole (CID 159240670) is 5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzothiazole;5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzoxazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-3-methylcarbazole;3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzothiazole;5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzoxazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-3-methylcarbazole;3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzothiazole;5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzoxazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-3-methylcarbazole;3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole is Cc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5cc(C(F)(F)F)ccc54)cc3c2c1.Cc1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4oncc4c3)ccc1n2-c1ccc2oc3ccccc3c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4sncc4c3)ccc1n2-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzothiazole;5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzoxazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-3-methylcarbazole;3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole?
The InChIKey is KUAYNSZJDVYBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NS2.C38H23F3N2O.C32H17N3O2.C32H17N3OS/c1-26-13-17-39-34(21-26)32-9-2-4-11-38(32)44(39)31-16-20-43-37(25-31)36-24-30(15-19-42(36)46-43)28-8-6-7-27(22-28)29-14-18-41-35(23-29)33-10-3-5-12-40(33)45-41;1-22-10-14-34-28(18-22)26-6-2-4-8-32(26)42(34)24-12-16-36-30(20-24)31-21-25(13-17-37(31)44-36)43-33-9-5-3-7-27(33)29-19-23(38(39,40)41)11-15-35(29)43;1-33-22-8-11-29-26(16-22)25-15-20(19-7-12-30-21(14-19)18-34-37-30)6-10-28(25)35(29)23-9-13-32-27(17-23)24-4-2-3-5-31(24)36-32;1-33-22-8-11-29-26(16-22)25-15-20(19-7-13-32-21(14-19)18-34-37-32)6-10-28(25)35(29)23-9-12-31-27(17-23)24-4-2-3-5-30(24)36-31/h2-25H,1H3;2-21H,1H3;2*2-18H.
What are the key properties of 5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzothiazole;5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzoxazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-3-methylcarbazole;3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole?
5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzothiazole;5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzoxazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-3-methylcarbazole;3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 2169.52 g/mol, XLogP of 42.82, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzothiazole;5-(9-dibenzofuran-2-yl-6-isocyanocarbazol-3-yl)-1,2-benzoxazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzothiophen-2-yl]-3-methylcarbazole;3-methyl-9-[8-[3-(trifluoromethyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 159240670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).