3,6-di(dibenzofuran-2-yl)-9-[3-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole

C94H54N4O4 — CID 152589988

IUPAC3,6-di(dibenzofuran-2-yl)-9-[3-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3cc(-n4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)cc(-n4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C94H54N4O4/c1-3-15-55(16-4-1)80-54-81(96-94(95-80)56-17-5-2-6-18-56)65-43-66(97-82-35-27-57(61-31-39-90-76(49-61)68-19-7-11-23-86(68)99-90)45-72(82)73-46-58(28-36-83(73)97)62-32-40-91-77(50-62)69-20-8-12-24-87(69)100-91)53-67(44-65)98-84-37-29-59(63-33-41-92-78(51-63)70-21-9-13-25-88(70)101-92)47-74(84)75-48-60(30-38-85(75)98)64-34-42-93-79(52-64)71-22-10-14-26-89(71)102-93/h1-54H
InChIKeyYVGVXCHKUIKXCM-UHFFFAOYSA-N
MW1303.49 g/mol
LogP25.94
Rot. Bonds9

About 3,6-di(dibenzofuran-2-yl)-9-[3-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole

3,6-di(dibenzofuran-2-yl)-9-[3-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole (PubChem CID 152589988) has the molecular formula C94H54N4O4 and a molecular weight of 1303.49 g/mol. Its IUPAC name is 3,6-di(dibenzofuran-2-yl)-9-[3-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-di(dibenzofuran-2-yl)-9-[3-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
PubChem CID152589988
Molecular FormulaC94H54N4O4
Molecular Weight1303.49 g/mol
Exact Mass1302.41
IUPAC Name3,6-di(dibenzofuran-2-yl)-9-[3-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3cc(-n4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)cc(-n4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C94H54N4O4/c1-3-15-55(16-4-1)80-54-81(96-94(95-80)56-17-5-2-6-18-56)65-43-66(97-82-35-27-57(61-31-39-90-76(49-61)68-19-7-11-23-86(68)99-90)45-72(82)73-46-58(28-36-83(73)97)62-32-40-91-77(50-62)69-20-8-12-24-87(69)100-91)53-67(44-65)98-84-37-29-59(63-33-41-92-78(51-63)70-21-9-13-25-88(70)101-92)47-74(84)75-48-60(30-38-85(75)98)64-34-42-93-79(52-64)71-22-10-14-26-89(71)102-93/h1-54H
InChIKeyYVGVXCHKUIKXCM-UHFFFAOYSA-N
XLogP25.94
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001303.49
LogP ≤ 525.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3,6-di(dibenzofuran-2-yl)-9-[3-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158561754
3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 151400345
9-(4-dibenzofuran-2-ylphenyl)-3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 159961245
3-dibenzofuran-2-yl-9-[4-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 126632003
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 70659228
9-[3-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole
CID 88530509
3-[16-(2,6-diphenylpyrimidin-4-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole
CID 67952805
3-dibenzofuran-2-yl-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole
CID 163626219
3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118503233
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149414
9-[3-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
CID 171763921
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082

Frequently Asked Questions

What is the IUPAC name of 3,6-di(dibenzofuran-2-yl)-9-[3-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole?
The IUPAC name of 3,6-di(dibenzofuran-2-yl)-9-[3-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole (CID 152589988) is 3,6-di(dibenzofuran-2-yl)-9-[3-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-di(dibenzofuran-2-yl)-9-[3-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole?
The canonical SMILES for 3,6-di(dibenzofuran-2-yl)-9-[3-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole is c1ccc(-c2cc(-c3cc(-n4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)cc(-n4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 3,6-di(dibenzofuran-2-yl)-9-[3-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole?
The InChIKey is YVGVXCHKUIKXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H54N4O4/c1-3-15-55(16-4-1)80-54-81(96-94(95-80)56-17-5-2-6-18-56)65-43-66(97-82-35-27-57(61-31-39-90-76(49-61)68-19-7-11-23-86(68)99-90)45-72(82)73-46-58(28-36-83(73)97)62-32-40-91-77(50-62)69-20-8-12-24-87(69)100-91)53-67(44-65)98-84-37-29-59(63-33-41-92-78(51-63)70-21-9-13-25-88(70)101-92)47-74(84)75-48-60(30-38-85(75)98)64-34-42-93-79(52-64)71-22-10-14-26-89(71)102-93/h1-54H.
What are the key properties of 3,6-di(dibenzofuran-2-yl)-9-[3-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole?
3,6-di(dibenzofuran-2-yl)-9-[3-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole has a molecular weight of 1303.49 g/mol, XLogP of 25.94, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(dibenzofuran-2-yl)-9-[3-[3,6-di(dibenzofuran-2-yl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole is sourced from PubChem (CID 152589988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).