1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole

C34H23N3 — CID 155673306

IUPAC1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4[nH]c4ccccc45)cc3)n2)cc1
InChIInChI=1S/C34H23N3/c1-3-10-24(11-4-1)31-22-32(25-12-5-2-6-13-25)37-34(36-31)26-20-18-23(19-21-26)27-15-9-16-29-28-14-7-8-17-30(28)35-33(27)29/h1-22,35H
InChIKeyVYNBVBKAIZOZKU-UHFFFAOYSA-N
MW473.58 g/mol
LogP8.78
Rot. Bonds4

About 1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole

1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole (PubChem CID 155673306) has the molecular formula C34H23N3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole.

Molecular Properties

Compound Name1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
PubChem CID155673306
Molecular FormulaC34H23N3
Molecular Weight473.58 g/mol
Exact Mass473.19
IUPAC Name1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4[nH]c4ccccc45)cc3)n2)cc1
InChIInChI=1S/C34H23N3/c1-3-10-24(11-4-1)31-22-32(25-12-5-2-6-13-25)37-34(36-31)26-20-18-23(19-21-26)27-15-9-16-29-28-14-7-8-17-30(28)35-33(27)29/h1-22,35H
InChIKeyVYNBVBKAIZOZKU-UHFFFAOYSA-N
XLogP8.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 58.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole
CID 121306346
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 121306334
1-(6-phenyl-2-pyridinyl)-9H-carbazole
CID 171438775
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
CID 122470462
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-(4-phenylphenyl)-9H-carbazole
CID 126492498
1-(3,4-diphenylphenyl)-9H-carbazole
CID 141489388
3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole
CID 139504814
2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402218
4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole
CID 121477925
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
[4-(9H-carbazol-1-yl)phenyl]-triphenylsilane
CID 141080008

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole?
The IUPAC name of 1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole (CID 155673306) is 1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole.
What is the SMILES notation for 1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole?
The canonical SMILES for 1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4[nH]c4ccccc45)cc3)n2)cc1.
What is the InChIKey of 1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole?
The InChIKey is VYNBVBKAIZOZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3/c1-3-10-24(11-4-1)31-22-32(25-12-5-2-6-13-25)37-34(36-31)26-20-18-23(19-21-26)27-15-9-16-29-28-14-7-8-17-30(28)35-33(27)29/h1-22,35H.
What are the key properties of 1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole?
1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole has a molecular weight of 473.58 g/mol, XLogP of 8.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole is sourced from PubChem (CID 155673306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).