9H-carbazole;2-phenylpyrimidine

C22H17N3 — CID 135341743

IUPAC9H-carbazole;2-phenylpyrimidine
SMILESc1ccc(-c2ncccn2)cc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-8,13H;1-8H
InChIKeyXEOLTFHRBSPASD-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.46
Rot. Bonds1

About 9H-carbazole;2-phenylpyrimidine

9H-carbazole;2-phenylpyrimidine (PubChem CID 135341743) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 9H-carbazole;2-phenylpyrimidine.

Molecular Properties

Compound Name9H-carbazole;2-phenylpyrimidine
PubChem CID135341743
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC Name9H-carbazole;2-phenylpyrimidine
SMILESc1ccc(-c2ncccn2)cc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-8,13H;1-8H
InChIKeyXEOLTFHRBSPASD-UHFFFAOYSA-N
XLogP5.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylpyrimidine
CID 593578
9H-carbazole
CID 66668984
9H-carbazole;9,10-diphenylanthracene
CID 159841164
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 121306334
8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 151112967
9H-carbazole;carbonic acid
CID 67577328
3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole
CID 139504814
bromomethane;9H-carbazole
CID 67594562

Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;2-phenylpyrimidine?
The IUPAC name of 9H-carbazole;2-phenylpyrimidine (CID 135341743) is 9H-carbazole;2-phenylpyrimidine.
What is the SMILES notation for 9H-carbazole;2-phenylpyrimidine?
The canonical SMILES for 9H-carbazole;2-phenylpyrimidine is c1ccc(-c2ncccn2)cc1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole;2-phenylpyrimidine?
The InChIKey is XEOLTFHRBSPASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-8,13H;1-8H.
What are the key properties of 9H-carbazole;2-phenylpyrimidine?
9H-carbazole;2-phenylpyrimidine has a molecular weight of 323.40 g/mol, XLogP of 5.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;2-phenylpyrimidine is sourced from PubChem (CID 135341743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).