9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole

C76H43N5O3 — CID 126632043

IUPAC9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)nc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)n3)cc12
InChIInChI=1S/C76H43N5O3/c1-7-19-62-50(13-1)56-37-44(47-28-34-71-59(40-47)53-16-4-10-22-68(53)82-71)25-31-65(56)79(62)74-43-75(80-63-20-8-2-14-51(63)57-38-45(26-32-66(57)80)48-29-35-72-60(41-48)54-17-5-11-23-69(54)83-72)78-76(77-74)81-64-21-9-3-15-52(64)58-39-46(27-33-67(58)81)49-30-36-73-61(42-49)55-18-6-12-24-70(55)84-73/h1-43H
InChIKeyGXDRPUAEJGYMPD-UHFFFAOYSA-N
MW1074.21 g/mol
LogP20.47
Rot. Bonds6

About 9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole

9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole (PubChem CID 126632043) has the molecular formula C76H43N5O3 and a molecular weight of 1074.21 g/mol. Its IUPAC name is 9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole.

Molecular Properties

Compound Name9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole
PubChem CID126632043
Molecular FormulaC76H43N5O3
Molecular Weight1074.21 g/mol
Exact Mass1073.34
IUPAC Name9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)nc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)n3)cc12
InChIInChI=1S/C76H43N5O3/c1-7-19-62-50(13-1)56-37-44(47-28-34-71-59(40-47)53-16-4-10-22-68(53)82-71)25-31-65(56)79(62)74-43-75(80-63-20-8-2-14-51(63)57-38-45(26-32-66(57)80)48-29-35-72-60(41-48)54-17-5-11-23-69(54)83-72)78-76(77-74)81-64-21-9-3-15-52(64)58-39-46(27-33-67(58)81)49-30-36-73-61(42-49)55-18-6-12-24-70(55)84-73/h1-43H
InChIKeyGXDRPUAEJGYMPD-UHFFFAOYSA-N
XLogP20.47
TPSA79.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001074.21
LogP ≤ 520.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126632681
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674
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-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 154978544
7-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole;9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine
CID 161327253
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
3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118503233
3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 121449444
3-dibenzofuran-2-yl-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole
CID 163626219
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
9-[4-(7-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358257

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole?
The IUPAC name of 9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole (CID 126632043) is 9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole.
What is the SMILES notation for 9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole?
The canonical SMILES for 9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole is c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)nc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)n3)cc12.
What is the InChIKey of 9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole?
The InChIKey is GXDRPUAEJGYMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H43N5O3/c1-7-19-62-50(13-1)56-37-44(47-28-34-71-59(40-47)53-16-4-10-22-68(53)82-71)25-31-65(56)79(62)74-43-75(80-63-20-8-2-14-51(63)57-38-45(26-32-66(57)80)48-29-35-72-60(41-48)54-17-5-11-23-69(54)83-72)78-76(77-74)81-64-21-9-3-15-52(64)58-39-46(27-33-67(58)81)49-30-36-73-61(42-49)55-18-6-12-24-70(55)84-73/h1-43H.
What are the key properties of 9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole?
9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole has a molecular weight of 1074.21 g/mol, XLogP of 20.47, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole is sourced from PubChem (CID 126632043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).