3,6-di(carbazol-9-yl)-9-[2,5,6-tri(carbazol-9-yl)-4-(3,5-dimethylphenyl)-3-pyridinyl]carbazole

C85H55N7 — CID 146236385

IUPAC3,6-di(carbazol-9-yl)-9-[2,5,6-tri(carbazol-9-yl)-4-(3,5-dimethylphenyl)-3-pyridinyl]carbazole
SMILESCc1cc(C)cc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C85H55N7/c1-52-47-53(2)49-54(48-52)81-82(89-73-37-17-7-27-61(73)62-28-8-18-38-74(62)89)84(91-75-39-19-9-29-63(75)64-30-10-20-40-76(64)91)86-85(92-77-41-21-11-31-65(77)66-32-12-22-42-78(66)92)83(81)90-79-45-43-55(87-69-33-13-3-23-57(69)58-24-4-14-34-70(58)87)50-67(79)68-51-56(44-46-80(68)90)88-71-35-15-5-25-59(71)60-26-6-16-36-72(60)88/h3-51H,1-2H3
InChIKeyWFHLBHUWKAXDIA-UHFFFAOYSA-N
MW1174.42 g/mol
LogP21.95
Rot. Bonds7

About 3,6-di(carbazol-9-yl)-9-[2,5,6-tri(carbazol-9-yl)-4-(3,5-dimethylphenyl)-3-pyridinyl]carbazole

3,6-di(carbazol-9-yl)-9-[2,5,6-tri(carbazol-9-yl)-4-(3,5-dimethylphenyl)-3-pyridinyl]carbazole (PubChem CID 146236385) has the molecular formula C85H55N7 and a molecular weight of 1174.42 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-9-[2,5,6-tri(carbazol-9-yl)-4-(3,5-dimethylphenyl)-3-pyridinyl]carbazole.

Molecular Properties

Compound Name3,6-di(carbazol-9-yl)-9-[2,5,6-tri(carbazol-9-yl)-4-(3,5-dimethylphenyl)-3-pyridinyl]carbazole
PubChem CID146236385
Molecular FormulaC85H55N7
Molecular Weight1174.42 g/mol
Exact Mass1173.45
IUPAC Name3,6-di(carbazol-9-yl)-9-[2,5,6-tri(carbazol-9-yl)-4-(3,5-dimethylphenyl)-3-pyridinyl]carbazole
SMILESCc1cc(C)cc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C85H55N7/c1-52-47-53(2)49-54(48-52)81-82(89-73-37-17-7-27-61(73)62-28-8-18-38-74(62)89)84(91-75-39-19-9-29-63(75)64-30-10-20-40-76(64)91)86-85(92-77-41-21-11-31-65(77)66-32-12-22-42-78(66)92)83(81)90-79-45-43-55(87-69-33-13-3-23-57(69)58-24-4-14-34-70(58)87)50-67(79)68-51-56(44-46-80(68)90)88-71-35-15-5-25-59(71)60-26-6-16-36-72(60)88/h3-51H,1-2H3
InChIKeyWFHLBHUWKAXDIA-UHFFFAOYSA-N
XLogP21.95
TPSA42.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001174.42
LogP ≤ 521.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole
CID 146512463
9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 162257704
3-carbazol-9-yl-9-[4-[4-(3-methylphenyl)phenyl]phenyl]carbazole
CID 170198467
3-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370671
9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole
CID 71232756
3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole
CID 146511865
3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole
CID 71232676
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole
CID 146280880

Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-9-[2,5,6-tri(carbazol-9-yl)-4-(3,5-dimethylphenyl)-3-pyridinyl]carbazole?
The IUPAC name of 3,6-di(carbazol-9-yl)-9-[2,5,6-tri(carbazol-9-yl)-4-(3,5-dimethylphenyl)-3-pyridinyl]carbazole (CID 146236385) is 3,6-di(carbazol-9-yl)-9-[2,5,6-tri(carbazol-9-yl)-4-(3,5-dimethylphenyl)-3-pyridinyl]carbazole.
What is the SMILES notation for 3,6-di(carbazol-9-yl)-9-[2,5,6-tri(carbazol-9-yl)-4-(3,5-dimethylphenyl)-3-pyridinyl]carbazole?
The canonical SMILES for 3,6-di(carbazol-9-yl)-9-[2,5,6-tri(carbazol-9-yl)-4-(3,5-dimethylphenyl)-3-pyridinyl]carbazole is Cc1cc(C)cc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.
What is the InChIKey of 3,6-di(carbazol-9-yl)-9-[2,5,6-tri(carbazol-9-yl)-4-(3,5-dimethylphenyl)-3-pyridinyl]carbazole?
The InChIKey is WFHLBHUWKAXDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H55N7/c1-52-47-53(2)49-54(48-52)81-82(89-73-37-17-7-27-61(73)62-28-8-18-38-74(62)89)84(91-75-39-19-9-29-63(75)64-30-10-20-40-76(64)91)86-85(92-77-41-21-11-31-65(77)66-32-12-22-42-78(66)92)83(81)90-79-45-43-55(87-69-33-13-3-23-57(69)58-24-4-14-34-70(58)87)50-67(79)68-51-56(44-46-80(68)90)88-71-35-15-5-25-59(71)60-26-6-16-36-72(60)88/h3-51H,1-2H3.
What are the key properties of 3,6-di(carbazol-9-yl)-9-[2,5,6-tri(carbazol-9-yl)-4-(3,5-dimethylphenyl)-3-pyridinyl]carbazole?
3,6-di(carbazol-9-yl)-9-[2,5,6-tri(carbazol-9-yl)-4-(3,5-dimethylphenyl)-3-pyridinyl]carbazole has a molecular weight of 1174.42 g/mol, XLogP of 21.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(carbazol-9-yl)-9-[2,5,6-tri(carbazol-9-yl)-4-(3,5-dimethylphenyl)-3-pyridinyl]carbazole is sourced from PubChem (CID 146236385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).