10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole

C34H24N6 — CID 122660084

IUPAC10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c43)NNN5c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C34H24N6/c1-4-12-23(13-5-1)28-22-31(36-34(35-28)24-14-6-2-7-15-24)39-29-19-11-10-18-26(29)27-20-21-30-32(33(27)39)37-38-40(30)25-16-8-3-9-17-25/h1-22,37-38H
InChIKeyLDVRWCCTSLOGCY-UHFFFAOYSA-N
MW516.61 g/mol
LogP7.89
Rot. Bonds4

About 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole

10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole (PubChem CID 122660084) has the molecular formula C34H24N6 and a molecular weight of 516.61 g/mol. Its IUPAC name is 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole.

Molecular Properties

Compound Name10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole
PubChem CID122660084
Molecular FormulaC34H24N6
Molecular Weight516.61 g/mol
Exact Mass516.21
IUPAC Name10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c43)NNN5c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C34H24N6/c1-4-12-23(13-5-1)28-22-31(36-34(35-28)24-14-6-2-7-15-24)39-29-19-11-10-18-26(29)27-20-21-30-32(33(27)39)37-38-40(30)25-16-8-3-9-17-25/h1-22,37-38H
InChIKeyLDVRWCCTSLOGCY-UHFFFAOYSA-N
XLogP7.89
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.61
LogP ≤ 57.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

12-(2,6-diphenylpyrimidin-4-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 121385306
11-(3-phenylphenyl)-12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole
CID 121385294
12-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole
CID 159277893
27-(2,6-diphenylpyrimidin-4-yl)-2,27-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene
CID 90433039
11-(4-phenylphenyl)-12-[2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole
CID 174179607
24-(2,6-diphenylpyrimidin-4-yl)-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene
CID 121432185
12-[2-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 162363133
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 134168850
9-(3-carbazol-9-ylphenyl)-14-(2,6-diphenylpyrimidin-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937279
triphenyl-[4-[2-phenyl-6-[5-(3-triphenylsilylphenyl)indolo[3,2-c]carbazol-12-yl]pyrimidin-4-yl]phenyl]silane
CID 168842556
16-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 122465610
12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole
CID 90085604

Frequently Asked Questions

What is the IUPAC name of 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole?
The IUPAC name of 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole (CID 122660084) is 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole.
What is the SMILES notation for 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole?
The canonical SMILES for 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c43)NNN5c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole?
The InChIKey is LDVRWCCTSLOGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N6/c1-4-12-23(13-5-1)28-22-31(36-34(35-28)24-14-6-2-7-15-24)39-29-19-11-10-18-26(29)27-20-21-30-32(33(27)39)37-38-40(30)25-16-8-3-9-17-25/h1-22,37-38H.
What are the key properties of 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole?
10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole has a molecular weight of 516.61 g/mol, XLogP of 7.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole is sourced from PubChem (CID 122660084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).