9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-difluorocarbazol-9-yl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-difluorocarbazole

C154H98F12N12 — CID 157164086

IUPAC9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-difluorocarbazol-9-yl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-difluorocarbazole
SMILESCC(C)(C)c1ccc(-c2c3ccc(-n4c5ccc(F)cc5c5cc(F)ccc54)cc3c(-c3ccc(C(C)(C)C)cn3)c3ccc(-n4c5ccc(F)cc5c5cc(F)ccc54)cc23)nc1.Cc1ccc(-c2c3ccc(-n4c5ccc(F)cc5c5cc(F)ccc54)cc3c(-c3ccc(C)cn3)c3ccc(-n4c5ccc(F)cc5c5cc(F)ccc54)cc23)nc1.Fc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc2c(-c3cccnc3)c3cc(-n4c5ccc(F)cc5c5cc(F)ccc54)ccc3c(-c3cccnc3)c2c1
InChIInChI=1S/C56H42F4N4.C50H30F4N4.C48H26F4N4/c1-55(2,3)31-7-17-47(61-29-31)53-39-15-13-38(64-51-21-11-35(59)25-43(51)44-26-36(60)12-22-52(44)64)28-46(39)54(48-18-8-32(30-62-48)56(4,5)6)40-16-14-37(27-45(40)53)63-49-19-9-33(57)23-41(49)42-24-34(58)10-20-50(42)63;1-27-3-13-43(55-25-27)49-35-11-9-34(58-47-17-7-31(53)21-39(47)40-22-32(54)8-18-48(40)58)24-42(35)50(44-14-4-28(2)26-56-44)36-12-10-33(23-41(36)49)57-45-15-5-29(51)19-37(45)38-20-30(52)6-16-46(38)57;49-29-5-13-43-37(19-29)38-20-30(50)6-14-44(38)55(43)33-10-12-36-41(23-33)47(27-3-1-17-53-25-27)35-11-9-34(24-42(35)48(36)28-4-2-18-54-26-28)56-45-15-7-31(51)21-39(45)40-22-32(52)8-16-46(40)56/h7-30H,1-6H3;3-26H,1-2H3;1-26H
InChIKeyAMSAXZBSAZSNPV-UHFFFAOYSA-N
MW2344.54 g/mol
LogP41.81
Rot. Bonds12

About 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-difluorocarbazol-9-yl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-difluorocarbazole

9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-difluorocarbazol-9-yl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-difluorocarbazole (PubChem CID 157164086) has the molecular formula C154H98F12N12 and a molecular weight of 2344.54 g/mol. Its IUPAC name is 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-difluorocarbazol-9-yl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-difluorocarbazole.

Molecular Properties

Compound Name9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-difluorocarbazol-9-yl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-difluorocarbazole
PubChem CID157164086
Molecular FormulaC154H98F12N12
Molecular Weight2344.54 g/mol
Exact Mass2342.78
IUPAC Name9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-difluorocarbazol-9-yl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-difluorocarbazole
SMILESCC(C)(C)c1ccc(-c2c3ccc(-n4c5ccc(F)cc5c5cc(F)ccc54)cc3c(-c3ccc(C(C)(C)C)cn3)c3ccc(-n4c5ccc(F)cc5c5cc(F)ccc54)cc23)nc1.Cc1ccc(-c2c3ccc(-n4c5ccc(F)cc5c5cc(F)ccc54)cc3c(-c3ccc(C)cn3)c3ccc(-n4c5ccc(F)cc5c5cc(F)ccc54)cc23)nc1.Fc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc2c(-c3cccnc3)c3cc(-n4c5ccc(F)cc5c5cc(F)ccc54)ccc3c(-c3cccnc3)c2c1
InChIInChI=1S/C56H42F4N4.C50H30F4N4.C48H26F4N4/c1-55(2,3)31-7-17-47(61-29-31)53-39-15-13-38(64-51-21-11-35(59)25-43(51)44-26-36(60)12-22-52(44)64)28-46(39)54(48-18-8-32(30-62-48)56(4,5)6)40-16-14-37(27-45(40)53)63-49-19-9-33(57)23-41(49)42-24-34(58)10-20-50(42)63;1-27-3-13-43(55-25-27)49-35-11-9-34(58-47-17-7-31(53)21-39(47)40-22-32(54)8-18-48(40)58)24-42(35)50(44-14-4-28(2)26-56-44)36-12-10-33(23-41(36)49)57-45-15-5-29(51)19-37(45)38-20-30(52)6-16-46(38)57;49-29-5-13-43-37(19-29)38-20-30(50)6-14-44(38)55(43)33-10-12-36-41(23-33)47(27-3-1-17-53-25-27)35-11-9-34(24-42(35)48(36)28-4-2-18-54-26-28)56-45-15-7-31(51)21-39(45)40-22-32(52)8-16-46(40)56/h7-30H,1-6H3;3-26H,1-2H3;1-26H
InChIKeyAMSAXZBSAZSNPV-UHFFFAOYSA-N
XLogP41.81
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002344.54
LogP ≤ 541.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-difluorocarbazol-9-yl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-difluorocarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-difluorocarbazol-9-yl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-difluorocarbazole?
The IUPAC name of 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-difluorocarbazol-9-yl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-difluorocarbazole (CID 157164086) is 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-difluorocarbazol-9-yl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-difluorocarbazole.
What is the SMILES notation for 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-difluorocarbazol-9-yl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-difluorocarbazole?
The canonical SMILES for 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-difluorocarbazol-9-yl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-difluorocarbazole is CC(C)(C)c1ccc(-c2c3ccc(-n4c5ccc(F)cc5c5cc(F)ccc54)cc3c(-c3ccc(C(C)(C)C)cn3)c3ccc(-n4c5ccc(F)cc5c5cc(F)ccc54)cc23)nc1.Cc1ccc(-c2c3ccc(-n4c5ccc(F)cc5c5cc(F)ccc54)cc3c(-c3ccc(C)cn3)c3ccc(-n4c5ccc(F)cc5c5cc(F)ccc54)cc23)nc1.Fc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc2c(-c3cccnc3)c3cc(-n4c5ccc(F)cc5c5cc(F)ccc54)ccc3c(-c3cccnc3)c2c1.
What is the InChIKey of 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-difluorocarbazol-9-yl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-difluorocarbazole?
The InChIKey is AMSAXZBSAZSNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42F4N4.C50H30F4N4.C48H26F4N4/c1-55(2,3)31-7-17-47(61-29-31)53-39-15-13-38(64-51-21-11-35(59)25-43(51)44-26-36(60)12-22-52(44)64)28-46(39)54(48-18-8-32(30-62-48)56(4,5)6)40-16-14-37(27-45(40)53)63-49-19-9-33(57)23-41(49)42-24-34(58)10-20-50(42)63;1-27-3-13-43(55-25-27)49-35-11-9-34(58-47-17-7-31(53)21-39(47)40-22-32(54)8-18-48(40)58)24-42(35)50(44-14-4-28(2)26-56-44)36-12-10-33(23-41(36)49)57-45-15-5-29(51)19-37(45)38-20-30(52)6-16-46(38)57;49-29-5-13-43-37(19-29)38-20-30(50)6-14-44(38)55(43)33-10-12-36-41(23-33)47(27-3-1-17-53-25-27)35-11-9-34(24-42(35)48(36)28-4-2-18-54-26-28)56-45-15-7-31(51)21-39(45)40-22-32(52)8-16-46(40)56/h7-30H,1-6H3;3-26H,1-2H3;1-26H.
What are the key properties of 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-difluorocarbazol-9-yl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-difluorocarbazole?
9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-difluorocarbazol-9-yl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-difluorocarbazole has a molecular weight of 2344.54 g/mol, XLogP of 41.81, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9,10-bis(5-tert-butyl-2-pyridinyl)-6-(3,6-difluorocarbazol-9-yl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]-3,6-difluorocarbazole;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-difluorocarbazole is sourced from PubChem (CID 157164086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).