9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole

C40H26N4 — CID 102416966

IUPAC9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
SMILESc1cc(-c2ccnc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C40H26N4/c1-5-19-36-31(15-1)32-16-2-6-20-37(32)43(36)29-13-9-11-27(25-29)35-23-24-41-40(42-35)28-12-10-14-30(26-28)44-38-21-7-3-17-33(38)34-18-4-8-22-39(34)44/h1-26H
InChIKeyGJOVXLOFYZFKLB-UHFFFAOYSA-N
MW562.68 g/mol
LogP10.00
Rot. Bonds4

About 9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole

9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole (PubChem CID 102416966) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
PubChem CID102416966
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
SMILESc1cc(-c2ccnc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C40H26N4/c1-5-19-36-31(15-1)32-16-2-6-20-37(32)43(36)29-13-9-11-27(25-29)35-23-24-41-40(42-35)28-12-10-14-30(26-28)44-38-21-7-3-17-33(38)34-18-4-8-22-39(34)44/h1-26H
InChIKeyGJOVXLOFYZFKLB-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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Related Compounds

9-[3-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]phenyl]carbazole
CID 122627429
9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole
CID 155771450
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 90182892
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-b]carbazole
CID 157413882
2-(3-carbazol-9-ylphenyl)-9-phenylpyrimido[4,5-b]indole
CID 118232303
9-[3-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164988819
9-[3-(1,3,5-triazin-2-yl)phenyl]carbazole
CID 166831150
9-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901354
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 90182893
9-[3-[2-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632710
9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 164822819

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole (CID 102416966) is 9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole is c1cc(-c2ccnc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The InChIKey is GJOVXLOFYZFKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-5-19-36-31(15-1)32-16-2-6-20-37(32)43(36)29-13-9-11-27(25-29)35-23-24-41-40(42-35)28-12-10-14-30(26-28)44-38-21-7-3-17-33(38)34-18-4-8-22-39(34)44/h1-26H.
What are the key properties of 9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
9-[3-[2-(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-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 102416966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).