9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole

C78H48N4O2 — CID 163934988

IUPAC9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole
SMILESC1=CC2c3cc(-c4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc5c4oc4ccc(-n6c7ccccc7c7ccccc76)cc45)ccc3N(c3ccc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c4c3)C2C=C1
InChIInChI=1S/C78H48N4O2/c1-8-27-66-53(19-1)54-20-2-9-28-67(54)79(66)50-18-15-17-47(41-50)49-43-61(77-65(44-49)64-46-52(37-40-76(64)83-77)80-68-29-10-3-21-55(68)56-22-4-11-30-69(56)80)48-35-38-73-62(42-48)59-25-7-12-31-70(59)81(73)51-36-39-75-63(45-51)60-26-16-34-74(78(60)84-75)82-71-32-13-5-23-57(71)58-24-6-14-33-72(58)82/h1-46,59,70H
InChIKeyRLYBRBVDYQEXGL-UHFFFAOYSA-N
MW1073.27 g/mol
LogP20.84
Rot. Bonds6

About 9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole

9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole (PubChem CID 163934988) has the molecular formula C78H48N4O2 and a molecular weight of 1073.27 g/mol. Its IUPAC name is 9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole
PubChem CID163934988
Molecular FormulaC78H48N4O2
Molecular Weight1073.27 g/mol
Exact Mass1072.38
IUPAC Name9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole
SMILESC1=CC2c3cc(-c4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc5c4oc4ccc(-n6c7ccccc7c7ccccc76)cc45)ccc3N(c3ccc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c4c3)C2C=C1
InChIInChI=1S/C78H48N4O2/c1-8-27-66-53(19-1)54-20-2-9-28-67(54)79(66)50-18-15-17-47(41-50)49-43-61(77-65(44-49)64-46-52(37-40-76(64)83-77)80-68-29-10-3-21-55(68)56-22-4-11-30-69(56)80)48-35-38-73-62(42-48)59-25-7-12-31-70(59)81(73)51-36-39-75-63(45-51)60-26-16-34-74(78(60)84-75)82-71-32-13-5-23-57(71)58-24-6-14-33-72(58)82/h1-46,59,70H
InChIKeyRLYBRBVDYQEXGL-UHFFFAOYSA-N
XLogP20.84
TPSA44.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001073.27
LogP ≤ 520.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163719008
9-[6-[3-[2-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163612002
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-(6-carbazol-9-yldibenzofuran-2-yl)-3-(8-carbazol-9-yldibenzofuran-4-yl)carbazole;3-[6-[9-(6-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;9-[6-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole
CID 159668391
3-[9-dibenzofuran-4-yl-6-[3-[8-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzofuran-4-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole
CID 137420572
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
9-[3-[8-[3-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
CID 118438864
2,7-bis(2,6,8-triphenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;2-dibenzofuran-4-yl-9-triphenylen-2-ylcarbazole;2-dibenzofuran-4-yl-9-(3-triphenylen-2-ylphenyl)carbazole;2-(2,8-diphenyldibenzofuran-4-yl)-9-triphenylen-2-ylcarbazole;methane;2-(6-phenyldibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 158449114

Frequently Asked Questions

What is the IUPAC name of 9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole (CID 163934988) is 9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole is C1=CC2c3cc(-c4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc5c4oc4ccc(-n6c7ccccc7c7ccccc76)cc45)ccc3N(c3ccc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c4c3)C2C=C1.
What is the InChIKey of 9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole?
The InChIKey is RLYBRBVDYQEXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N4O2/c1-8-27-66-53(19-1)54-20-2-9-28-67(54)79(66)50-18-15-17-47(41-50)49-43-61(77-65(44-49)64-46-52(37-40-76(64)83-77)80-68-29-10-3-21-55(68)56-22-4-11-30-69(56)80)48-35-38-73-62(42-48)59-25-7-12-31-70(59)81(73)51-36-39-75-63(45-51)60-26-16-34-74(78(60)84-75)82-71-32-13-5-23-57(71)58-24-6-14-33-72(58)82/h1-46,59,70H.
What are the key properties of 9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole?
9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole has a molecular weight of 1073.27 g/mol, XLogP of 20.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[6-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-4a,9a-dihydrocarbazol-9-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 163934988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).