3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole

C59H37N5 — CID 146626081

IUPAC3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1
InChIInChI=1S/C59H37N5/c1-9-25-49(62-52-28-12-4-20-43(52)44-21-5-13-29-53(44)62)40(17-1)38-35-58(63-54-30-14-6-22-45(54)46-23-7-15-31-55(46)63)60-59(36-38)64-56-32-16-8-24-47(56)48-37-39(33-34-57(48)64)61-50-26-10-2-18-41(50)42-19-3-11-27-51(42)61/h1-37H
InChIKeyWALQQNJOFRANPO-UHFFFAOYSA-N
MW815.98 g/mol
LogP15.14
Rot. Bonds5

About 3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole

3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole (PubChem CID 146626081) has the molecular formula C59H37N5 and a molecular weight of 815.98 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole
PubChem CID146626081
Molecular FormulaC59H37N5
Molecular Weight815.98 g/mol
Exact Mass815.30
IUPAC Name3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1
InChIInChI=1S/C59H37N5/c1-9-25-49(62-52-28-12-4-20-43(52)44-21-5-13-29-53(44)62)40(17-1)38-35-58(63-54-30-14-6-22-45(54)46-23-7-15-31-55(46)63)60-59(36-38)64-56-32-16-8-24-47(56)48-37-39(33-34-57(48)64)61-50-26-10-2-18-41(50)42-19-3-11-27-51(42)61/h1-37H
InChIKeyWALQQNJOFRANPO-UHFFFAOYSA-N
XLogP15.14
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.98
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146626082
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 142597402
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 146226350
9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-2-[9-[9-[6-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]carbazol-3-yl]carbazol-2-yl]carbazole-3-carbonitrile
CID 156574216
3-carbazol-9-yl-9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazole;3-carbazol-9-yl-9-[6-carbazol-9-yl-2-(2-carbazol-9-ylphenyl)pyrimidin-4-yl]carbazole;3-carbazol-9-yl-9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazole;5-[9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 161109252
3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole
CID 146654347
3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170224676
2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline
CID 176607684
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421301
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
9-[6-carbazol-9-yl-2-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]pyrimidin-4-yl]carbazole
CID 171578671

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole (CID 146626081) is 3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1.
What is the InChIKey of 3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole?
The InChIKey is WALQQNJOFRANPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5/c1-9-25-49(62-52-28-12-4-20-43(52)44-21-5-13-29-53(44)62)40(17-1)38-35-58(63-54-30-14-6-22-45(54)46-23-7-15-31-55(46)63)60-59(36-38)64-56-32-16-8-24-47(56)48-37-39(33-34-57(48)64)61-50-26-10-2-18-41(50)42-19-3-11-27-51(42)61/h1-37H.
What are the key properties of 3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole?
3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole has a molecular weight of 815.98 g/mol, XLogP of 15.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 146626081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).