2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole

C46H29N3O — CID 154938682

IUPAC2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C46H29N3O/c1-4-14-30(15-5-1)39-29-40(31-16-6-2-7-17-31)48-46(47-39)33-26-38(45-37-21-11-13-23-43(37)50-44(45)28-33)32-24-25-36-35-20-10-12-22-41(35)49(42(36)27-32)34-18-8-3-9-19-34/h1-29H
InChIKeySIAUSQXOUVFOKO-UHFFFAOYSA-N
MW639.76 g/mol
LogP12.14
Rot. Bonds5

About 2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole

2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole (PubChem CID 154938682) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is 2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
PubChem CID154938682
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC Name2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C46H29N3O/c1-4-14-30(15-5-1)39-29-40(31-16-6-2-7-17-31)48-46(47-39)33-26-38(45-37-21-11-13-23-43(37)50-44(45)28-33)32-24-25-36-35-20-10-12-22-41(35)49(42(36)27-32)34-18-8-3-9-19-34/h1-29H
InChIKeySIAUSQXOUVFOKO-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

Analyze 2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-phenyl-2-[1-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 147550718
2-[1-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 168768109
2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 118507595
9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 162775185
2-[1-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 168768283
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342513
2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 146648358
2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171445377
9-[2-[7-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole
CID 176773417
11-(4-phenylphenyl)-12-[3-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 162362624
2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole
CID 165375370
2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342798

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
The IUPAC name of 2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole (CID 154938682) is 2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
The InChIKey is SIAUSQXOUVFOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-4-14-30(15-5-1)39-29-40(31-16-6-2-7-17-31)48-46(47-39)33-26-38(45-37-21-11-13-23-43(37)50-44(45)28-33)32-24-25-36-35-20-10-12-22-41(35)49(42(36)27-32)34-18-8-3-9-19-34/h1-29H.
What are the key properties of 2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole 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 2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 154938682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).