4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

C63H40N6O2 — CID 145257771

IUPAC4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1ncnc2c1oc1ccccc12.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ncnc7c6oc6ccccc67)cc5)ccc43)cc2)cc1
InChIInChI=1S/C52H32N4O.C11H8N2O/c1-2-10-33(11-3-1)34-18-24-38(25-19-34)55-45-15-7-4-12-40(45)43-30-36(22-28-47(43)55)37-23-29-48-44(31-37)41-13-5-8-16-46(41)56(48)39-26-20-35(21-27-39)50-52-51(54-32-53-50)42-14-6-9-17-49(42)57-52;1-7-11-10(13-6-12-7)8-4-2-3-5-9(8)14-11/h1-32H;2-6H,1H3
InChIKeyGOWUEIYUJYDYRC-UHFFFAOYSA-N
MW913.05 g/mol
LogP16.26
Rot. Bonds5

About 4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 145257771) has the molecular formula C63H40N6O2 and a molecular weight of 913.05 g/mol. Its IUPAC name is 4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID145257771
Molecular FormulaC63H40N6O2
Molecular Weight913.05 g/mol
Exact Mass912.32
IUPAC Name4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCc1ncnc2c1oc1ccccc12.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ncnc7c6oc6ccccc67)cc5)ccc43)cc2)cc1
InChIInChI=1S/C52H32N4O.C11H8N2O/c1-2-10-33(11-3-1)34-18-24-38(25-19-34)55-45-15-7-4-12-40(45)43-30-36(22-28-47(43)55)37-23-29-48-44(31-37)41-13-5-8-16-46(41)56(48)39-26-20-35(21-27-39)50-52-51(54-32-53-50)42-14-6-9-17-49(42)57-52;1-7-11-10(13-6-12-7)8-4-2-3-5-9(8)14-11/h1-32H;2-6H,1H3
InChIKeyGOWUEIYUJYDYRC-UHFFFAOYSA-N
XLogP16.26
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.05
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

4-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 126550768
8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 135163814
4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 168826475
4-[3-(3-carbazol-9-ylphenyl)phenyl]-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 156578602
4-[3-(3-carbazol-9-ylphenyl)phenyl]-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 162485295
4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-7-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 168826473
8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 135163792
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 158617353
4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 168826414
4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 157231621
8-carbazol-9-yl-4-[3-[5-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 135163806
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 163455374

Frequently Asked Questions

What is the IUPAC name of 4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (CID 145257771) is 4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is Cc1ncnc2c1oc1ccccc12.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ncnc7c6oc6ccccc67)cc5)ccc43)cc2)cc1.
What is the InChIKey of 4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is GOWUEIYUJYDYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O.C11H8N2O/c1-2-10-33(11-3-1)34-18-24-38(25-19-34)55-45-15-7-4-12-40(45)43-30-36(22-28-47(43)55)37-23-29-48-44(31-37)41-13-5-8-16-46(41)56(48)39-26-20-35(21-27-39)50-52-51(54-32-53-50)42-14-6-9-17-49(42)57-52;1-7-11-10(13-6-12-7)8-4-2-3-5-9(8)14-11/h1-32H;2-6H,1H3.
What are the key properties of 4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 913.05 g/mol, XLogP of 16.26, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 145257771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).