2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole

C88H51N5O3 — CID 126632159

IUPAC2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5n(-c5ccc(-c6ccc(-c7cc(-n8c9ccccc9c9ccc(-c%10ccc%11oc%12ccccc%12c%11c%10)cc98)nc(-n8c9ccccc9c9ccc(-c%10ccc%11oc%12ccccc%12c%11c%10)cc98)n7)cc6)cc5)c4c3)cc12
InChIInChI=1S/C88H51N5O3/c1-7-19-75-62(13-1)65-39-31-58(55-34-42-84-71(45-55)68-16-4-10-22-81(68)94-84)48-78(65)91(75)61-37-29-53(30-38-61)52-25-27-54(28-26-52)74-51-87(92-76-20-8-2-14-63(76)66-40-32-59(49-79(66)92)56-35-43-85-72(46-56)69-17-5-11-23-82(69)95-85)90-88(89-74)93-77-21-9-3-15-64(77)67-41-33-60(50-80(67)93)57-36-44-86-73(47-57)70-18-6-12-24-83(70)96-86/h1-51H
InChIKeyQCGNUJBCCHDTTH-UHFFFAOYSA-N
MW1226.41 g/mol
LogP23.80
Rot. Bonds8

About 2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole

2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole (PubChem CID 126632159) has the molecular formula C88H51N5O3 and a molecular weight of 1226.41 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole
PubChem CID126632159
Molecular FormulaC88H51N5O3
Molecular Weight1226.41 g/mol
Exact Mass1225.40
IUPAC Name2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5n(-c5ccc(-c6ccc(-c7cc(-n8c9ccccc9c9ccc(-c%10ccc%11oc%12ccccc%12c%11c%10)cc98)nc(-n8c9ccccc9c9ccc(-c%10ccc%11oc%12ccccc%12c%11c%10)cc98)n7)cc6)cc5)c4c3)cc12
InChIInChI=1S/C88H51N5O3/c1-7-19-75-62(13-1)65-39-31-58(55-34-42-84-71(45-55)68-16-4-10-22-81(68)94-84)48-78(65)91(75)61-37-29-53(30-38-61)52-25-27-54(28-26-52)74-51-87(92-76-20-8-2-14-63(76)66-40-32-59(49-79(66)92)56-35-43-85-72(46-56)69-17-5-11-23-82(69)95-85)90-88(89-74)93-77-21-9-3-15-64(77)67-41-33-60(50-80(67)93)57-36-44-86-73(47-57)70-18-6-12-24-83(70)96-86/h1-51H
InChIKeyQCGNUJBCCHDTTH-UHFFFAOYSA-N
XLogP23.80
TPSA79.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001226.41
LogP ≤ 523.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole with MolForge

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Related Compounds

3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole
CID 126632399
9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632665
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 70659228
3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118503233
9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole
CID 126632043
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
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
2-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-9-dibenzofuran-2-ylcarbazole
CID 139555285
2-dibenzofuran-2-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 164970157
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 161289745
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenylpyrimidin-4-yl)-2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]carbazole
CID 159773020

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole?
The IUPAC name of 2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole (CID 126632159) is 2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole.
What is the SMILES notation for 2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole?
The canonical SMILES for 2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole is c1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5n(-c5ccc(-c6ccc(-c7cc(-n8c9ccccc9c9ccc(-c%10ccc%11oc%12ccccc%12c%11c%10)cc98)nc(-n8c9ccccc9c9ccc(-c%10ccc%11oc%12ccccc%12c%11c%10)cc98)n7)cc6)cc5)c4c3)cc12.
What is the InChIKey of 2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole?
The InChIKey is QCGNUJBCCHDTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H51N5O3/c1-7-19-75-62(13-1)65-39-31-58(55-34-42-84-71(45-55)68-16-4-10-22-81(68)94-84)48-78(65)91(75)61-37-29-53(30-38-61)52-25-27-54(28-26-52)74-51-87(92-76-20-8-2-14-63(76)66-40-32-59(49-79(66)92)56-35-43-85-72(46-56)69-17-5-11-23-82(69)95-85)90-88(89-74)93-77-21-9-3-15-64(77)67-41-33-60(50-80(67)93)57-36-44-86-73(47-57)70-18-6-12-24-83(70)96-86/h1-51H.
What are the key properties of 2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole?
2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole has a molecular weight of 1226.41 g/mol, XLogP of 23.80, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole is sourced from PubChem (CID 126632159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).