11-(4,6-diphenylpyrimidin-2-yl)-3,4-dihydro-[1]benzofuro[3,2-b]carbazole

C34H23N3O — CID 123418601

IUPAC11-(4,6-diphenylpyrimidin-2-yl)-3,4-dihydro-[1]benzofuro[3,2-b]carbazole
SMILESC1=Cc2c(oc3cc4c5ccccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4cc23)CC1
InChIInChI=1S/C34H23N3O/c1-3-11-22(12-4-1)28-21-29(23-13-5-2-6-14-23)36-34(35-28)37-30-17-9-7-15-24(30)26-20-33-27(19-31(26)37)25-16-8-10-18-32(25)38-33/h1-9,11-17,19-21H,10,18H2
InChIKeyMFARBKWSJKCGTA-UHFFFAOYSA-N
MW489.58 g/mol
LogP8.61
Rot. Bonds3

About 11-(4,6-diphenylpyrimidin-2-yl)-3,4-dihydro-[1]benzofuro[3,2-b]carbazole

11-(4,6-diphenylpyrimidin-2-yl)-3,4-dihydro-[1]benzofuro[3,2-b]carbazole (PubChem CID 123418601) has the molecular formula C34H23N3O and a molecular weight of 489.58 g/mol. Its IUPAC name is 11-(4,6-diphenylpyrimidin-2-yl)-3,4-dihydro-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-(4,6-diphenylpyrimidin-2-yl)-3,4-dihydro-[1]benzofuro[3,2-b]carbazole
PubChem CID123418601
Molecular FormulaC34H23N3O
Molecular Weight489.58 g/mol
Exact Mass489.18
IUPAC Name11-(4,6-diphenylpyrimidin-2-yl)-3,4-dihydro-[1]benzofuro[3,2-b]carbazole
SMILESC1=Cc2c(oc3cc4c5ccccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4cc23)CC1
InChIInChI=1S/C34H23N3O/c1-3-11-22(12-4-1)28-21-29(23-13-5-2-6-14-23)36-34(35-28)37-30-17-9-7-15-24(30)26-20-33-27(19-31(26)37)25-16-8-10-18-32(25)38-33/h1-9,11-17,19-21H,10,18H2
InChIKeyMFARBKWSJKCGTA-UHFFFAOYSA-N
XLogP8.61
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 70851639
19-(4,6-diphenylpyrimidin-2-yl)-10,15-dioxa-19-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
CID 118301346
5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole
CID 170205043
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170137926
9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole
CID 144541028
[11-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-triphenylsilane
CID 140775802
3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118503233
3-dibenzofuran-2-yl-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole
CID 163626219
7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole
CID 142380457
9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole
CID 130327501
14-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 170123117
11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170138762

Frequently Asked Questions

What is the IUPAC name of 11-(4,6-diphenylpyrimidin-2-yl)-3,4-dihydro-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-(4,6-diphenylpyrimidin-2-yl)-3,4-dihydro-[1]benzofuro[3,2-b]carbazole (CID 123418601) is 11-(4,6-diphenylpyrimidin-2-yl)-3,4-dihydro-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-(4,6-diphenylpyrimidin-2-yl)-3,4-dihydro-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-(4,6-diphenylpyrimidin-2-yl)-3,4-dihydro-[1]benzofuro[3,2-b]carbazole is C1=Cc2c(oc3cc4c5ccccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4cc23)CC1.
What is the InChIKey of 11-(4,6-diphenylpyrimidin-2-yl)-3,4-dihydro-[1]benzofuro[3,2-b]carbazole?
The InChIKey is MFARBKWSJKCGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3O/c1-3-11-22(12-4-1)28-21-29(23-13-5-2-6-14-23)36-34(35-28)37-30-17-9-7-15-24(30)26-20-33-27(19-31(26)37)25-16-8-10-18-32(25)38-33/h1-9,11-17,19-21H,10,18H2.
What are the key properties of 11-(4,6-diphenylpyrimidin-2-yl)-3,4-dihydro-[1]benzofuro[3,2-b]carbazole?
11-(4,6-diphenylpyrimidin-2-yl)-3,4-dihydro-[1]benzofuro[3,2-b]carbazole has a molecular weight of 489.58 g/mol, XLogP of 8.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4,6-diphenylpyrimidin-2-yl)-3,4-dihydro-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 123418601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).