3,6-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9H-carbazole

C54H35N7 — CID 102360871

IUPAC3,6-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9H-carbazole
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5[nH]c6ccc(-c7ccc(-c8cc(-c9ccccn9)nc(-c9ccccn9)c8)cc7)cc6c5c4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C54H35N7/c1-5-25-55-47(9-1)51-31-41(32-52(60-51)48-10-2-6-26-56-48)37-17-13-35(14-18-37)39-21-23-45-43(29-39)44-30-40(22-24-46(44)59-45)36-15-19-38(20-16-36)42-33-53(49-11-3-7-27-57-49)61-54(34-42)50-12-4-8-28-58-50/h1-34,59H
InChIKeyISRQLYGXRXFIRQ-UHFFFAOYSA-N
MW781.92 g/mol
LogP13.03
Rot. Bonds8

About 3,6-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9H-carbazole

3,6-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9H-carbazole (PubChem CID 102360871) has the molecular formula C54H35N7 and a molecular weight of 781.92 g/mol. Its IUPAC name is 3,6-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9H-carbazole.

Molecular Properties

Compound Name3,6-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9H-carbazole
PubChem CID102360871
Molecular FormulaC54H35N7
Molecular Weight781.92 g/mol
Exact Mass781.30
IUPAC Name3,6-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9H-carbazole
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5[nH]c6ccc(-c7ccc(-c8cc(-c9ccccn9)nc(-c9ccccn9)c8)cc7)cc6c5c4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C54H35N7/c1-5-25-55-47(9-1)51-31-41(32-52(60-51)48-10-2-6-26-56-48)37-17-13-35(14-18-37)39-21-23-45-43(29-39)44-30-40(22-24-46(44)59-45)36-15-19-38(20-16-36)42-33-53(49-11-3-7-27-57-49)61-54(34-42)50-12-4-8-28-58-50/h1-34,59H
InChIKeyISRQLYGXRXFIRQ-UHFFFAOYSA-N
XLogP13.03
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.92
LogP ≤ 513.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
4-[10-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-9-yl]-2,6-dipyridin-2-ylpyridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine;2,4,6-tripyridin-2-ylpyridine
CID 161380228
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine
CID 10871645
4-[2-[4-(4-hydroxyphenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenol
CID 136661911
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364714
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696
chloroplatinum(1+);4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;chloride
CID 165430889
4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine
CID 102129587

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9H-carbazole?
The IUPAC name of 3,6-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9H-carbazole (CID 102360871) is 3,6-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9H-carbazole.
What is the SMILES notation for 3,6-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9H-carbazole?
The canonical SMILES for 3,6-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9H-carbazole is c1ccc(-c2cc(-c3ccc(-c4ccc5[nH]c6ccc(-c7ccc(-c8cc(-c9ccccn9)nc(-c9ccccn9)c8)cc7)cc6c5c4)cc3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 3,6-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9H-carbazole?
The InChIKey is ISRQLYGXRXFIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N7/c1-5-25-55-47(9-1)51-31-41(32-52(60-51)48-10-2-6-26-56-48)37-17-13-35(14-18-37)39-21-23-45-43(29-39)44-30-40(22-24-46(44)59-45)36-15-19-38(20-16-36)42-33-53(49-11-3-7-27-57-49)61-54(34-42)50-12-4-8-28-58-50/h1-34,59H.
What are the key properties of 3,6-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9H-carbazole?
3,6-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9H-carbazole has a molecular weight of 781.92 g/mol, XLogP of 13.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9H-carbazole is sourced from PubChem (CID 102360871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).