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

C34H23N3 — CID 121306334

IUPAC2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)[nH]c4ccccc45)cc3)n2)cc1
InChIInChI=1S/C34H23N3/c1-3-9-24(10-4-1)31-22-32(25-11-5-2-6-12-25)37-34(36-31)26-17-15-23(16-18-26)27-19-20-29-28-13-7-8-14-30(28)35-33(29)21-27/h1-22,35H
InChIKeyVPEVLFFIGDJUBM-UHFFFAOYSA-N
MW473.58 g/mol
LogP8.78
Rot. Bonds4

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

2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole (PubChem CID 121306334) has the molecular formula C34H23N3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole.

Molecular Properties

Compound Name2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
PubChem CID121306334
Molecular FormulaC34H23N3
Molecular Weight473.58 g/mol
Exact Mass473.19
IUPAC Name2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)[nH]c4ccccc45)cc3)n2)cc1
InChIInChI=1S/C34H23N3/c1-3-9-24(10-4-1)31-22-32(25-11-5-2-6-12-25)37-34(36-31)26-17-15-23(16-18-26)27-19-20-29-28-13-7-8-14-30(28)35-33(29)21-27/h1-22,35H
InChIKeyVPEVLFFIGDJUBM-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

3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole
CID 139504814
2-(3-phenylphenyl)-9H-carbazole
CID 135143847
1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 155673306
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole
CID 121306346
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
17-[3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10,14,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15(20),16,18-decaene
CID 163977300
2-(2,5-diphenylphenyl)-9H-carbazole
CID 177269985
5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-7H-indolo[2,3-b]carbazole
CID 170138983
4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole
CID 121477925
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
4-phenyl-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-2-(4-triphenylen-2-ylphenyl)pyrimidine
CID 167363670

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole?
The IUPAC name of 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole (CID 121306334) is 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole.
What is the SMILES notation for 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole?
The canonical SMILES for 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)[nH]c4ccccc45)cc3)n2)cc1.
What is the InChIKey of 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole?
The InChIKey is VPEVLFFIGDJUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3/c1-3-9-24(10-4-1)31-22-32(25-11-5-2-6-12-25)37-34(36-31)26-17-15-23(16-18-26)27-19-20-29-28-13-7-8-14-30(28)35-33(29)21-27/h1-22,35H.
What are the key properties of 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole?
2-[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 2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole is sourced from PubChem (CID 121306334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).