9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole

C34H25N3 — CID 155382380

IUPAC9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole
SMILESC1=C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)NC(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C34H25N3/c1-3-11-24(12-4-1)30-23-31(36-34(35-30)26-13-5-2-6-14-26)25-19-21-27(22-20-25)37-32-17-9-7-15-28(32)29-16-8-10-18-33(29)37/h1-23,34,36H
InChIKeyIVFTXBAEHAOJQJ-UHFFFAOYSA-N
MW475.60 g/mol
LogP7.92
Rot. Bonds4

About 9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole

9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole (PubChem CID 155382380) has the molecular formula C34H25N3 and a molecular weight of 475.60 g/mol. Its IUPAC name is 9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole
PubChem CID155382380
Molecular FormulaC34H25N3
Molecular Weight475.60 g/mol
Exact Mass475.20
IUPAC Name9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole
SMILESC1=C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)NC(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C34H25N3/c1-3-11-24(12-4-1)30-23-31(36-34(35-30)26-13-5-2-6-14-26)25-19-21-27(22-20-25)37-32-17-9-7-15-28(32)29-16-8-10-18-33(29)37/h1-23,34,36H
InChIKeyIVFTXBAEHAOJQJ-UHFFFAOYSA-N
XLogP7.92
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
CID 144680701
6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole
CID 164968420
2-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 163851529
7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214923
2-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,2-dihydropyrimidin-2-yl)phenyl]-9-phenylcarbazole
CID 149248935
6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 118228142
12-[6-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
CID 166650856
12-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-9,10-dihydro-[1]benzothiolo[2,3-a]carbazole
CID 129200006
2-(5a,9a-dihydrodibenzothiophen-4-yl)-9-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]carbazole
CID 146532112
16-[4-[3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]-2,13-dioxa-16-azahexacyclo[12.11.0.03,12.05,10.015,23.017,22]pentacosa-1(14),3,5,7,9,11,15(23),17,19,21,24-undecaene
CID 121442241
9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole
CID 139556148
9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole
CID 139555395

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole (CID 155382380) is 9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole is C1=C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)NC(c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of 9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole?
The InChIKey is IVFTXBAEHAOJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N3/c1-3-11-24(12-4-1)30-23-31(36-34(35-30)26-13-5-2-6-14-26)25-19-21-27(22-20-25)37-32-17-9-7-15-28(32)29-16-8-10-18-33(29)37/h1-23,34,36H.
What are the key properties of 9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole?
9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole has a molecular weight of 475.60 g/mol, XLogP of 7.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole is sourced from PubChem (CID 155382380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).