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

C81H47N7O2 — CID 153300099

IUPAC9-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3cc4oc5ccccc5c4c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)nc(-c3cc4oc5ccccc5c4c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C81H47N7O2/c1-2-24-48(25-3-1)79-82-80(59-46-71-73(57-34-12-22-44-69(57)89-71)77(87-65-40-18-8-30-53(65)54-31-9-19-41-66(54)87)75(59)85-61-36-14-4-26-49(61)50-27-5-15-37-62(50)85)84-81(83-79)60-47-72-74(58-35-13-23-45-70(58)90-72)78(88-67-42-20-10-32-55(67)56-33-11-21-43-68(56)88)76(60)86-63-38-16-6-28-51(63)52-29-7-17-39-64(52)86/h1-47H
InChIKeyWWYVUELDIPNLDL-UHFFFAOYSA-N
MW1150.31 g/mol
LogP21.06
Rot. Bonds7

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

9-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole (PubChem CID 153300099) has the molecular formula C81H47N7O2 and a molecular weight of 1150.31 g/mol. Its IUPAC name is 9-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
PubChem CID153300099
Molecular FormulaC81H47N7O2
Molecular Weight1150.31 g/mol
Exact Mass1149.38
IUPAC Name9-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3cc4oc5ccccc5c4c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)nc(-c3cc4oc5ccccc5c4c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C81H47N7O2/c1-2-24-48(25-3-1)79-82-80(59-46-71-73(57-34-12-22-44-69(57)89-71)77(87-65-40-18-8-30-53(65)54-31-9-19-41-66(54)87)75(59)85-61-36-14-4-26-49(61)50-27-5-15-37-62(50)85)84-81(83-79)60-47-72-74(58-35-13-23-45-70(58)90-72)78(88-67-42-20-10-32-55(67)56-33-11-21-43-68(56)88)76(60)86-63-38-16-6-28-51(63)52-29-7-17-39-64(52)86/h1-47H
InChIKeyWWYVUELDIPNLDL-UHFFFAOYSA-N
XLogP21.06
TPSA84.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001150.31
LogP ≤ 521.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole with MolForge

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Related Compounds

9-[1-carbazol-9-yl-3-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]carbazole
CID 153300123
9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole
CID 148948409
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
9-[4-(9-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358093
5-[2-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167347318
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole
CID 146976667
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]carbazole
CID 174365480
5-[2-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700257
9-[4-phenyl-6-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169060933
9-[4-[3-(8-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358426
9-[4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358091

Frequently Asked Questions

What is the IUPAC name of 9-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole (CID 153300099) is 9-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole is c1ccc(-c2nc(-c3cc4oc5ccccc5c4c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)nc(-c3cc4oc5ccccc5c4c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole?
The InChIKey is WWYVUELDIPNLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H47N7O2/c1-2-24-48(25-3-1)79-82-80(59-46-71-73(57-34-12-22-44-69(57)89-71)77(87-65-40-18-8-30-53(65)54-31-9-19-41-66(54)87)75(59)85-61-36-14-4-26-49(61)50-27-5-15-37-62(50)85)84-81(83-79)60-47-72-74(58-35-13-23-45-70(58)90-72)78(88-67-42-20-10-32-55(67)56-33-11-21-43-68(56)88)76(60)86-63-38-16-6-28-51(63)52-29-7-17-39-64(52)86/h1-47H.
What are the key properties of 9-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole?
9-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 1150.31 g/mol, XLogP of 21.06, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 153300099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).