2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole

C54H35N3O — CID 118229659

IUPAC2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6c7oc(-c8ccccc8)c(-c8ccccc8)c7ccc65)c4)n3)cc2)cc1
InChIInChI=1S/C54H35N3O/c1-5-16-36(17-6-1)37-28-30-39(31-29-37)47-35-46(38-18-7-2-8-19-38)55-54(56-47)42-24-15-25-43(34-42)57-48-27-14-13-26-44(48)51-49(57)33-32-45-50(40-20-9-3-10-21-40)52(58-53(45)51)41-22-11-4-12-23-41/h1-35H
InChIKeyXVWTYJHBIIWZGM-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.32
Rot. Bonds7

About 2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole

2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole (PubChem CID 118229659) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is 2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole.

Molecular Properties

Compound Name2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
PubChem CID118229659
Molecular FormulaC54H35N3O
Molecular Weight741.89 g/mol
Exact Mass741.28
IUPAC Name2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6c7oc(-c8ccccc8)c(-c8ccccc8)c7ccc65)c4)n3)cc2)cc1
InChIInChI=1S/C54H35N3O/c1-5-16-36(17-6-1)37-28-30-39(31-29-37)47-35-46(38-18-7-2-8-19-38)55-54(56-47)42-24-15-25-43(34-42)57-48-27-14-13-26-44(48)51-49(57)33-32-45-50(40-20-9-3-10-21-40)52(58-53(45)51)41-22-11-4-12-23-41/h1-35H
InChIKeyXVWTYJHBIIWZGM-UHFFFAOYSA-N
XLogP14.32
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 118228116
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole;6-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole;6-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 162158013
2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole
CID 118229660
6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229522
6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
CID 118228651
2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole
CID 140680258
2-phenyl-6-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1,3]oxazolo[4,5-c]carbazole
CID 159545018
5-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 161186083
2-phenyl-6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1,3]oxazolo[4,5-c]carbazole
CID 159252427
2-phenyl-6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]carbazole;2-phenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 160615868
6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
CID 159794158
9-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-14-phenyl-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 169014621

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole?
The IUPAC name of 2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole (CID 118229659) is 2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole.
What is the SMILES notation for 2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole?
The canonical SMILES for 2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6c7oc(-c8ccccc8)c(-c8ccccc8)c7ccc65)c4)n3)cc2)cc1.
What is the InChIKey of 2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole?
The InChIKey is XVWTYJHBIIWZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-5-16-36(17-6-1)37-28-30-39(31-29-37)47-35-46(38-18-7-2-8-19-38)55-54(56-47)42-24-15-25-43(34-42)57-48-27-14-13-26-44(48)51-49(57)33-32-45-50(40-20-9-3-10-21-40)52(58-53(45)51)41-22-11-4-12-23-41/h1-35H.
What are the key properties of 2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole?
2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole has a molecular weight of 741.89 g/mol, XLogP of 14.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole is sourced from PubChem (CID 118229659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).