1,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;3,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;1,3,4-tris(3,6-ditert-butylcarbazol-9-yl)-6-phenyldibenzofuran-2-carbonitrile

C185H186N10O3 — CID 157348737

IUPAC1,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;3,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;1,3,4-tris(3,6-ditert-butylcarbazol-9-yl)-6-phenyldibenzofuran-2-carbonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(C#N)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c2c(oc3c(-c4ccccc4)cccc32)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(C#N)cc2c(oc3ccccc32)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(C#N)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c2c1oc1ccccc12
InChIInChI=1S/C79H80N4O.2C53H53N3O/c1-74(2,3)47-27-33-62-55(39-47)56-40-48(75(4,5)6)28-34-63(56)81(62)69-61(45-80)70(82-64-35-29-49(76(7,8)9)41-57(64)58-42-50(77(10,11)12)30-36-65(58)82)71(73-68(69)54-26-22-25-53(72(54)84-73)46-23-20-19-21-24-46)83-66-37-31-51(78(13,14)15)43-59(66)60-44-52(79(16,17)18)32-38-67(60)83;1-50(2,3)32-17-21-42-37(26-32)38-27-33(51(4,5)6)18-22-43(38)55(42)47-31(30-54)25-41-36-15-13-14-16-46(36)57-49(41)48(47)56-44-23-19-34(52(7,8)9)28-39(44)40-29-35(53(10,11)12)20-24-45(40)56;1-50(2,3)32-17-21-41-37(26-32)38-27-33(51(4,5)6)18-22-42(38)55(41)45-25-31(30-54)48(47-36-15-13-14-16-46(36)57-49(45)47)56-43-23-19-34(52(7,8)9)28-39(43)40-29-35(53(10,11)12)20-24-44(40)56/h19-44H,1-18H3;2*13-29H,1-12H3
InChIKeyBHGYDDGJHRFDKH-UHFFFAOYSA-N
MW2597.59 g/mol
LogP51.88
Rot. Bonds8

About 1,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;3,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;1,3,4-tris(3,6-ditert-butylcarbazol-9-yl)-6-phenyldibenzofuran-2-carbonitrile

1,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;3,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;1,3,4-tris(3,6-ditert-butylcarbazol-9-yl)-6-phenyldibenzofuran-2-carbonitrile (PubChem CID 157348737) has the molecular formula C185H186N10O3 and a molecular weight of 2597.59 g/mol. Its IUPAC name is 1,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;3,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;1,3,4-tris(3,6-ditert-butylcarbazol-9-yl)-6-phenyldibenzofuran-2-carbonitrile.

Molecular Properties

Compound Name1,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;3,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;1,3,4-tris(3,6-ditert-butylcarbazol-9-yl)-6-phenyldibenzofuran-2-carbonitrile
PubChem CID157348737
Molecular FormulaC185H186N10O3
Molecular Weight2597.59 g/mol
Exact Mass2595.47
IUPAC Name1,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;3,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;1,3,4-tris(3,6-ditert-butylcarbazol-9-yl)-6-phenyldibenzofuran-2-carbonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(C#N)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c2c(oc3c(-c4ccccc4)cccc32)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(C#N)cc2c(oc3ccccc32)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(C#N)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c2c1oc1ccccc12
InChIInChI=1S/C79H80N4O.2C53H53N3O/c1-74(2,3)47-27-33-62-55(39-47)56-40-48(75(4,5)6)28-34-63(56)81(62)69-61(45-80)70(82-64-35-29-49(76(7,8)9)41-57(64)58-42-50(77(10,11)12)30-36-65(58)82)71(73-68(69)54-26-22-25-53(72(54)84-73)46-23-20-19-21-24-46)83-66-37-31-51(78(13,14)15)43-59(66)60-44-52(79(16,17)18)32-38-67(60)83;1-50(2,3)32-17-21-42-37(26-32)38-27-33(51(4,5)6)18-22-43(38)55(42)47-31(30-54)25-41-36-15-13-14-16-46(36)57-49(41)48(47)56-44-23-19-34(52(7,8)9)28-39(44)40-29-35(53(10,11)12)20-24-45(40)56;1-50(2,3)32-17-21-41-37(26-32)38-27-33(51(4,5)6)18-22-42(38)55(41)45-25-31(30-54)48(47-36-15-13-14-16-46(36)57-49(45)47)56-43-23-19-34(52(7,8)9)28-39(43)40-29-35(53(10,11)12)20-24-44(40)56/h19-44H,1-18H3;2*13-29H,1-12H3
InChIKeyBHGYDDGJHRFDKH-UHFFFAOYSA-N
XLogP51.88
TPSA145.30 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002597.59
LogP ≤ 551.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;3,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;1,3,4-tris(3,6-ditert-butylcarbazol-9-yl)-6-phenyldibenzofuran-2-carbonitrile with MolForge

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Related Compounds

3,4-bis(3,6-ditert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-carbonitrile
CID 155131622
3,4-bis(3,6-ditert-butylcarbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-carbonitrile
CID 155139853
1,4-bis(3,6-diphenylcarbazol-9-yl)dibenzofuran-2-carbonitrile
CID 155139834
2,4-bis(3,6-ditert-butylcarbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 155139809
3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzofuran-2-carbonitrile
CID 155139713
3,6-ditert-butyl-9-[1-(3,6-ditert-butylcarbazol-9-yl)-4-isocyano-6-phenyldibenzofuran-2-yl]carbazole
CID 155617319
9-[1,2-bis(3,6-ditert-butylcarbazol-9-yl)-3-isocyano-6-phenyldibenzofuran-4-yl]-3,6-ditert-butylcarbazole;3,6-ditert-butyl-9-[1-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanodibenzofuran-2-yl]carbazole;3,6-ditert-butyl-9-[1-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanodibenzofuran-4-yl]carbazole;3,6-ditert-butyl-9-[2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanodibenzofuran-4-yl]carbazole;3,6-ditert-butyl-9-[1-(3,6-ditert-butylcarbazol-9-yl)-3-isocyano-6-phenyldibenzofuran-4-yl]carbazole;3,6-ditert-butyl-9-[2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyano-6-phenyldibenzofuran-4-yl]carbazole
CID 158924300
3,6-ditert-butyl-9-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-(4-dibenzofuran-1-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole
CID 158060899
2,3,4-tris(3,6-diphenylcarbazol-9-yl)dibenzofuran-1-carbonitrile
CID 146563392
2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile
CID 147295774
3,6-ditert-butyl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 146280466
2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-(3,6-ditert-butylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 121328915

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;3,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;1,3,4-tris(3,6-ditert-butylcarbazol-9-yl)-6-phenyldibenzofuran-2-carbonitrile?
The IUPAC name of 1,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;3,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;1,3,4-tris(3,6-ditert-butylcarbazol-9-yl)-6-phenyldibenzofuran-2-carbonitrile (CID 157348737) is 1,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;3,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;1,3,4-tris(3,6-ditert-butylcarbazol-9-yl)-6-phenyldibenzofuran-2-carbonitrile.
What is the SMILES notation for 1,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;3,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;1,3,4-tris(3,6-ditert-butylcarbazol-9-yl)-6-phenyldibenzofuran-2-carbonitrile?
The canonical SMILES for 1,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;3,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;1,3,4-tris(3,6-ditert-butylcarbazol-9-yl)-6-phenyldibenzofuran-2-carbonitrile is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(C#N)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c2c(oc3c(-c4ccccc4)cccc32)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(C#N)cc2c(oc3ccccc32)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(C#N)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c2c1oc1ccccc12.
What is the InChIKey of 1,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;3,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;1,3,4-tris(3,6-ditert-butylcarbazol-9-yl)-6-phenyldibenzofuran-2-carbonitrile?
The InChIKey is BHGYDDGJHRFDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H80N4O.2C53H53N3O/c1-74(2,3)47-27-33-62-55(39-47)56-40-48(75(4,5)6)28-34-63(56)81(62)69-61(45-80)70(82-64-35-29-49(76(7,8)9)41-57(64)58-42-50(77(10,11)12)30-36-65(58)82)71(73-68(69)54-26-22-25-53(72(54)84-73)46-23-20-19-21-24-46)83-66-37-31-51(78(13,14)15)43-59(66)60-44-52(79(16,17)18)32-38-67(60)83;1-50(2,3)32-17-21-42-37(26-32)38-27-33(51(4,5)6)18-22-43(38)55(42)47-31(30-54)25-41-36-15-13-14-16-46(36)57-49(41)48(47)56-44-23-19-34(52(7,8)9)28-39(44)40-29-35(53(10,11)12)20-24-45(40)56;1-50(2,3)32-17-21-41-37(26-32)38-27-33(51(4,5)6)18-22-42(38)55(41)45-25-31(30-54)48(47-36-15-13-14-16-46(36)57-49(45)47)56-43-23-19-34(52(7,8)9)28-39(43)40-29-35(53(10,11)12)20-24-44(40)56/h19-44H,1-18H3;2*13-29H,1-12H3.
What are the key properties of 1,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;3,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;1,3,4-tris(3,6-ditert-butylcarbazol-9-yl)-6-phenyldibenzofuran-2-carbonitrile?
1,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;3,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;1,3,4-tris(3,6-ditert-butylcarbazol-9-yl)-6-phenyldibenzofuran-2-carbonitrile has a molecular weight of 2597.59 g/mol, XLogP of 51.88, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;3,4-bis(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-2-carbonitrile;1,3,4-tris(3,6-ditert-butylcarbazol-9-yl)-6-phenyldibenzofuran-2-carbonitrile is sourced from PubChem (CID 157348737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).