4-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-3-phenylcarbazole

C58H36N4O — CID 90348778

IUPAC4-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-3-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)c(-c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C58H36N4O/c1-4-17-37(18-5-1)41-32-34-52-56(45-25-11-14-28-50(45)62(52)58-59-47(38-19-6-2-7-20-38)36-48(60-58)39-21-8-3-9-22-39)55(41)40-31-33-51-46(35-40)42-23-10-13-27-49(42)61(51)53-29-16-26-44-43-24-12-15-30-54(43)63-57(44)53/h1-36H
InChIKeyFLTUVKHENGANFW-UHFFFAOYSA-N
MW804.95 g/mol
LogP15.24
Rot. Bonds6

About 4-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-3-phenylcarbazole

4-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-3-phenylcarbazole (PubChem CID 90348778) has the molecular formula C58H36N4O and a molecular weight of 804.95 g/mol. Its IUPAC name is 4-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-3-phenylcarbazole.

Molecular Properties

Compound Name4-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-3-phenylcarbazole
PubChem CID90348778
Molecular FormulaC58H36N4O
Molecular Weight804.95 g/mol
Exact Mass804.29
IUPAC Name4-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-3-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)c(-c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C58H36N4O/c1-4-17-37(18-5-1)41-32-34-52-56(45-25-11-14-28-50(45)62(52)58-59-47(38-19-6-2-7-20-38)36-48(60-58)39-21-8-3-9-22-39)55(41)40-31-33-51-46(35-40)42-23-10-13-27-49(42)61(51)53-29-16-26-44-43-24-12-15-30-54(43)63-57(44)53/h1-36H
InChIKeyFLTUVKHENGANFW-UHFFFAOYSA-N
XLogP15.24
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.95
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole
CID 139556110
9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 121385469
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 161237045
9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole
CID 130327501
4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-3,9-diphenylcarbazole
CID 90321724
3-(3-carbazol-9-ylphenyl)-6-[3-[6-[4-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 139524597
9-(4,6-diphenylpyrimidin-2-yl)-14-(4-phenyldibenzofuran-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937328
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 159294598
9-(2-dibenzofuran-4-ylphenyl)-3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
CID 118149283
3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-4-yl)carbazole
CID 170080874
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155463130
10-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 140957222

Frequently Asked Questions

What is the IUPAC name of 4-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-3-phenylcarbazole?
The IUPAC name of 4-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-3-phenylcarbazole (CID 90348778) is 4-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-3-phenylcarbazole.
What is the SMILES notation for 4-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-3-phenylcarbazole?
The canonical SMILES for 4-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-3-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)c(-c5ccccc5)ccc43)n2)cc1.
What is the InChIKey of 4-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-3-phenylcarbazole?
The InChIKey is FLTUVKHENGANFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4O/c1-4-17-37(18-5-1)41-32-34-52-56(45-25-11-14-28-50(45)62(52)58-59-47(38-19-6-2-7-20-38)36-48(60-58)39-21-8-3-9-22-39)55(41)40-31-33-51-46(35-40)42-23-10-13-27-49(42)61(51)53-29-16-26-44-43-24-12-15-30-54(43)63-57(44)53/h1-36H.
What are the key properties of 4-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-3-phenylcarbazole?
4-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-3-phenylcarbazole has a molecular weight of 804.95 g/mol, XLogP of 15.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-3-phenylcarbazole is sourced from PubChem (CID 90348778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).