11-(2,6-diphenylpyrimidin-4-yl)-3,5-diphenyl-[1]benzofuro[3,2-c]carbazole

C46H29N3O — CID 146543296

IUPAC11-(2,6-diphenylpyrimidin-4-yl)-3,5-diphenyl-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2ccc3c4c5oc6c(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cccc6c5ccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C46H29N3O/c1-5-14-30(15-6-1)33-24-25-38-42(28-33)49(34-20-11-4-12-21-34)41-27-26-36-35-22-13-23-37(44(35)50-45(36)43(38)41)40-29-39(31-16-7-2-8-17-31)47-46(48-40)32-18-9-3-10-19-32/h1-29H
InChIKeyVZJCHAKROXSWDB-UHFFFAOYSA-N
MW639.76 g/mol
LogP12.14
Rot. Bonds5

About 11-(2,6-diphenylpyrimidin-4-yl)-3,5-diphenyl-[1]benzofuro[3,2-c]carbazole

11-(2,6-diphenylpyrimidin-4-yl)-3,5-diphenyl-[1]benzofuro[3,2-c]carbazole (PubChem CID 146543296) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is 11-(2,6-diphenylpyrimidin-4-yl)-3,5-diphenyl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name11-(2,6-diphenylpyrimidin-4-yl)-3,5-diphenyl-[1]benzofuro[3,2-c]carbazole
PubChem CID146543296
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC Name11-(2,6-diphenylpyrimidin-4-yl)-3,5-diphenyl-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2ccc3c4c5oc6c(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cccc6c5ccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C46H29N3O/c1-5-14-30(15-6-1)33-24-25-38-42(28-33)49(34-20-11-4-12-21-34)41-27-26-36-35-22-13-23-37(44(35)50-45(36)43(38)41)40-29-39(31-16-7-2-8-17-31)47-46(48-40)32-18-9-3-10-19-32/h1-29H
InChIKeyVZJCHAKROXSWDB-UHFFFAOYSA-N
XLogP12.14
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541205
3-dibenzofuran-3-yl-11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;3-dibenzofuran-3-yl-11-(2,6-diphenylpyrimidin-4-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;3-dibenzofuran-4-yl-11-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 159169194
11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146543268
11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541208
5-[4-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154439
11-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-(2,6-diphenyl-4-pyridinyl)-5-(4-phenylphenyl)-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole;methane
CID 158075368
11-[4-(3,4-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 153459569
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,20,24-triphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
CID 121400422
9-(4-dibenzofuran-4-ylphenyl)-2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 118149434
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-11-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole
CID 171591577
6-(2,6-diphenyl-4-pyridinyl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-(2,6-diphenylpyrimidin-4-yl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-(4,6-diphenylpyrimidin-2-yl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;6-phenyl-24-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 159641488
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-phenyl-3-[9-phenyl-7-[4-[6-phenyl-2-[3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 155039415

Frequently Asked Questions

What is the IUPAC name of 11-(2,6-diphenylpyrimidin-4-yl)-3,5-diphenyl-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 11-(2,6-diphenylpyrimidin-4-yl)-3,5-diphenyl-[1]benzofuro[3,2-c]carbazole (CID 146543296) is 11-(2,6-diphenylpyrimidin-4-yl)-3,5-diphenyl-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 11-(2,6-diphenylpyrimidin-4-yl)-3,5-diphenyl-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 11-(2,6-diphenylpyrimidin-4-yl)-3,5-diphenyl-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2ccc3c4c5oc6c(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cccc6c5ccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 11-(2,6-diphenylpyrimidin-4-yl)-3,5-diphenyl-[1]benzofuro[3,2-c]carbazole?
The InChIKey is VZJCHAKROXSWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-5-14-30(15-6-1)33-24-25-38-42(28-33)49(34-20-11-4-12-21-34)41-27-26-36-35-22-13-23-37(44(35)50-45(36)43(38)41)40-29-39(31-16-7-2-8-17-31)47-46(48-40)32-18-9-3-10-19-32/h1-29H.
What are the key properties of 11-(2,6-diphenylpyrimidin-4-yl)-3,5-diphenyl-[1]benzofuro[3,2-c]carbazole?
11-(2,6-diphenylpyrimidin-4-yl)-3,5-diphenyl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 639.76 g/mol, XLogP of 12.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,6-diphenylpyrimidin-4-yl)-3,5-diphenyl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 146543296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).