2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole

C81H46N6O3 — CID 126632171

IUPAC2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1cc(-c2nc(-n3c4ccccc4c4ccc(-c5ccc6oc7ccccc7c6c5)cc43)nc(-n3c4ccccc4c4ccc(-c5ccc6oc7ccccc7c6c5)cc43)n2)cc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccccc6c5c4)cc32)c1
InChIInChI=1S/C81H46N6O3/c1-7-22-67-55(16-1)58-34-28-50(47-31-37-76-64(41-47)61-19-4-10-25-73(61)88-76)44-70(58)85(67)54-15-13-14-53(40-54)79-82-80(86-68-23-8-2-17-56(68)59-35-29-51(45-71(59)86)48-32-38-77-65(42-48)62-20-5-11-26-74(62)89-77)84-81(83-79)87-69-24-9-3-18-57(69)60-36-30-52(46-72(60)87)49-33-39-78-66(43-49)63-21-6-12-27-75(63)90-78/h1-46H
InChIKeyCLYHJSIUMRXUDO-UHFFFAOYSA-N
MW1151.30 g/mol
LogP21.53
Rot. Bonds7

About 2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole

2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 126632171) has the molecular formula C81H46N6O3 and a molecular weight of 1151.30 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
PubChem CID126632171
Molecular FormulaC81H46N6O3
Molecular Weight1151.30 g/mol
Exact Mass1150.36
IUPAC Name2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1cc(-c2nc(-n3c4ccccc4c4ccc(-c5ccc6oc7ccccc7c6c5)cc43)nc(-n3c4ccccc4c4ccc(-c5ccc6oc7ccccc7c6c5)cc43)n2)cc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccccc6c5c4)cc32)c1
InChIInChI=1S/C81H46N6O3/c1-7-22-67-55(16-1)58-34-28-50(47-31-37-76-64(41-47)61-19-4-10-25-73(61)88-76)44-70(58)85(67)54-15-13-14-53(40-54)79-82-80(86-68-23-8-2-17-56(68)59-35-29-51(45-71(59)86)48-32-38-77-65(42-48)62-20-5-11-26-74(62)89-77)84-81(83-79)87-69-24-9-3-18-57(69)60-36-30-52(46-72(60)87)49-33-39-78-66(43-49)63-21-6-12-27-75(63)90-78/h1-46H
InChIKeyCLYHJSIUMRXUDO-UHFFFAOYSA-N
XLogP21.53
TPSA92.88 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001151.30
LogP ≤ 521.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

9-[4,6-bis(2-dibenzofuran-3-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2-dibenzofuran-3-ylcarbazole;2-dibenzofuran-3-yl-9-[3-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)-6-[3-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 158600573
2-dibenzofuran-2-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 164970157
9-[3-[4-dibenzofuran-3-yl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 159113305
2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342775
2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 146367342
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-2,6-diphenylcarbazole
CID 166927950
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 171438053
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171437863
9-[3-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4-carbazol-9-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 163497204
11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 118154464
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3,5-diphenylphenyl)carbazole
CID 135144062

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (CID 126632171) is 2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is c1cc(-c2nc(-n3c4ccccc4c4ccc(-c5ccc6oc7ccccc7c6c5)cc43)nc(-n3c4ccccc4c4ccc(-c5ccc6oc7ccccc7c6c5)cc43)n2)cc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccccc6c5c4)cc32)c1.
What is the InChIKey of 2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is CLYHJSIUMRXUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H46N6O3/c1-7-22-67-55(16-1)58-34-28-50(47-31-37-76-64(41-47)61-19-4-10-25-73(61)88-76)44-70(58)85(67)54-15-13-14-53(40-54)79-82-80(86-68-23-8-2-17-56(68)59-35-29-51(45-71(59)86)48-32-38-77-65(42-48)62-20-5-11-26-74(62)89-77)84-81(83-79)87-69-24-9-3-18-57(69)60-36-30-52(46-72(60)87)49-33-39-78-66(43-49)63-21-6-12-27-75(63)90-78/h1-46H.
What are the key properties of 2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
2-dibenzofuran-2-yl-9-[4-(2-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 1151.30 g/mol, XLogP of 21.53, 7 rotatable bonds, 0 hydrogen bond donors, and 9 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-[3-(2-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 126632171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).