9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole

C40H26N4 — CID 71269928

IUPAC9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
SMILESc1cc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ncn2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C40H26N4/c1-5-19-37-31(15-1)32-16-2-6-20-38(32)43(37)29-13-9-11-27(23-29)35-25-36(42-26-41-35)28-12-10-14-30(24-28)44-39-21-7-3-17-33(39)34-18-4-8-22-40(34)44/h1-26H
InChIKeyLNNMKLNCLINVKV-UHFFFAOYSA-N
MW562.68 g/mol
LogP10.00
Rot. Bonds4

About 9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole

9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole (PubChem CID 71269928) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
PubChem CID71269928
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
SMILESc1cc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ncn2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C40H26N4/c1-5-19-37-31(15-1)32-16-2-6-20-38(32)43(37)29-13-9-11-27(23-29)35-25-36(42-26-41-35)28-12-10-14-30(24-28)44-39-21-7-3-17-33(39)34-18-4-8-22-40(34)44/h1-26H
InChIKeyLNNMKLNCLINVKV-UHFFFAOYSA-N
XLogP10.00
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole (CID 71269928) is 9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole is c1cc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)ncn2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The InChIKey is LNNMKLNCLINVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-5-19-37-31(15-1)32-16-2-6-20-38(32)43(37)29-13-9-11-27(23-29)35-25-36(42-26-41-35)28-12-10-14-30(24-28)44-39-21-7-3-17-33(39)34-18-4-8-22-40(34)44/h1-26H.
What are the key properties of 9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole has a molecular weight of 562.68 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 71269928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).