9-(2-carbazol-9-yl-4,6-dipyridin-2-ylpyrimidin-5-yl)carbazole

C38H24N6 — CID 145186124

IUPAC9-(2-carbazol-9-yl-4,6-dipyridin-2-ylpyrimidin-5-yl)carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-c3ccccn3)c2-n2c3ccccc3c3ccccc32)nc1
InChIInChI=1S/C38H24N6/c1-5-19-31-25(13-1)26-14-2-6-20-32(26)43(31)37-35(29-17-9-11-23-39-29)41-38(42-36(37)30-18-10-12-24-40-30)44-33-21-7-3-15-27(33)28-16-4-8-22-34(28)44/h1-24H
InChIKeyIELKLSBXZAXCHH-UHFFFAOYSA-N
MW564.65 g/mol
LogP8.79
Rot. Bonds4

About 9-(2-carbazol-9-yl-4,6-dipyridin-2-ylpyrimidin-5-yl)carbazole

9-(2-carbazol-9-yl-4,6-dipyridin-2-ylpyrimidin-5-yl)carbazole (PubChem CID 145186124) has the molecular formula C38H24N6 and a molecular weight of 564.65 g/mol. Its IUPAC name is 9-(2-carbazol-9-yl-4,6-dipyridin-2-ylpyrimidin-5-yl)carbazole.

Molecular Properties

Compound Name9-(2-carbazol-9-yl-4,6-dipyridin-2-ylpyrimidin-5-yl)carbazole
PubChem CID145186124
Molecular FormulaC38H24N6
Molecular Weight564.65 g/mol
Exact Mass564.21
IUPAC Name9-(2-carbazol-9-yl-4,6-dipyridin-2-ylpyrimidin-5-yl)carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-c3ccccn3)c2-n2c3ccccc3c3ccccc32)nc1
InChIInChI=1S/C38H24N6/c1-5-19-31-25(13-1)26-14-2-6-20-32(26)43(31)37-35(29-17-9-11-23-39-29)41-38(42-36(37)30-18-10-12-24-40-30)44-33-21-7-3-15-27(33)28-16-4-8-22-34(28)44/h1-24H
InChIKeyIELKLSBXZAXCHH-UHFFFAOYSA-N
XLogP8.79
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.65
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 149013970
9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole
CID 137368341
3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole
CID 155770026
9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole
CID 59221065
1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole
CID 101437629
9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole
CID 165047384
9-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]carbazole
CID 59194567
9-[4-[6-(4-pyridin-2-ylphenyl)-2-triphenylen-2-ylpyrimidin-4-yl]phenyl]carbazole
CID 121422890
[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-4-pyridinyl]-triphenylsilane
CID 174010334
9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 88557862
10-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]furo[3,2-a]carbazole
CID 118317554
5-carbazol-9-yl-4,6-bis(3-pyridin-2-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 170010813

Frequently Asked Questions

What is the IUPAC name of 9-(2-carbazol-9-yl-4,6-dipyridin-2-ylpyrimidin-5-yl)carbazole?
The IUPAC name of 9-(2-carbazol-9-yl-4,6-dipyridin-2-ylpyrimidin-5-yl)carbazole (CID 145186124) is 9-(2-carbazol-9-yl-4,6-dipyridin-2-ylpyrimidin-5-yl)carbazole.
What is the SMILES notation for 9-(2-carbazol-9-yl-4,6-dipyridin-2-ylpyrimidin-5-yl)carbazole?
The canonical SMILES for 9-(2-carbazol-9-yl-4,6-dipyridin-2-ylpyrimidin-5-yl)carbazole is c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-c3ccccn3)c2-n2c3ccccc3c3ccccc32)nc1.
What is the InChIKey of 9-(2-carbazol-9-yl-4,6-dipyridin-2-ylpyrimidin-5-yl)carbazole?
The InChIKey is IELKLSBXZAXCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N6/c1-5-19-31-25(13-1)26-14-2-6-20-32(26)43(31)37-35(29-17-9-11-23-39-29)41-38(42-36(37)30-18-10-12-24-40-30)44-33-21-7-3-15-27(33)28-16-4-8-22-34(28)44/h1-24H.
What are the key properties of 9-(2-carbazol-9-yl-4,6-dipyridin-2-ylpyrimidin-5-yl)carbazole?
9-(2-carbazol-9-yl-4,6-dipyridin-2-ylpyrimidin-5-yl)carbazole has a molecular weight of 564.65 g/mol, XLogP of 8.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-carbazol-9-yl-4,6-dipyridin-2-ylpyrimidin-5-yl)carbazole is sourced from PubChem (CID 145186124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).