9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole

C40H27N3 — CID 153287600

IUPAC9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C40H27N3/c1-3-15-28(16-4-1)35-27-36(29-17-5-2-6-18-29)42-40(41-35)34-23-8-7-19-30(34)31-20-9-12-24-37(31)43-38-25-13-10-21-32(38)33-22-11-14-26-39(33)43/h1-27H
InChIKeyIVBHVPJEKSKARG-UHFFFAOYSA-N
MW549.68 g/mol
LogP10.24
Rot. Bonds5

About 9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole

9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole (PubChem CID 153287600) has the molecular formula C40H27N3 and a molecular weight of 549.68 g/mol. Its IUPAC name is 9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
PubChem CID153287600
Molecular FormulaC40H27N3
Molecular Weight549.68 g/mol
Exact Mass549.22
IUPAC Name9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C40H27N3/c1-3-15-28(16-4-1)35-27-36(29-17-5-2-6-18-29)42-40(41-35)34-23-8-7-19-30(34)31-20-9-12-24-37(31)43-38-25-13-10-21-32(38)33-22-11-14-26-39(33)43/h1-27H
InChIKeyIVBHVPJEKSKARG-UHFFFAOYSA-N
XLogP10.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.68
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole
CID 169037005
9-(2-carbazol-9-ylphenyl)-2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(2-carbazol-9-ylphenyl)-2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 158054236
5-phenyl-11-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-b]carbazole
CID 155240922
5-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 155761345
boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158893462
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 169036842
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(4-methylphenyl)carbazole
CID 155463279
9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155463041
5-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139497018
9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole
CID 155463188
3-tert-butyl-9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155463309
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
CID 159261000

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole (CID 153287600) is 9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole?
The InChIKey is IVBHVPJEKSKARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3/c1-3-15-28(16-4-1)35-27-36(29-17-5-2-6-18-29)42-40(41-35)34-23-8-7-19-30(34)31-20-9-12-24-37(31)43-38-25-13-10-21-32(38)33-22-11-14-26-39(33)43/h1-27H.
What are the key properties of 9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole?
9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole has a molecular weight of 549.68 g/mol, XLogP of 10.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 153287600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).