4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole

C50H31N3O — CID 146337804

IUPAC4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5oc6c(-n7c8ccccc8c8c(-c9ccccc9)cccc87)cccc6c45)nc4ccccc34)cc2)cc1
InChIInChI=1S/C50H31N3O/c1-3-14-32(15-4-1)33-28-30-35(31-29-33)48-37-18-7-9-23-41(37)51-50(52-48)40-22-13-27-45-47(40)39-21-12-26-44(49(39)54-45)53-42-24-10-8-19-38(42)46-36(20-11-25-43(46)53)34-16-5-2-6-17-34/h1-31H
InChIKeyUXDLHKCBJLLEEK-UHFFFAOYSA-N
MW689.82 g/mol
LogP13.29
Rot. Bonds5

About 4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole

4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole (PubChem CID 146337804) has the molecular formula C50H31N3O and a molecular weight of 689.82 g/mol. Its IUPAC name is 4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole
PubChem CID146337804
Molecular FormulaC50H31N3O
Molecular Weight689.82 g/mol
Exact Mass689.25
IUPAC Name4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5oc6c(-n7c8ccccc8c8c(-c9ccccc9)cccc87)cccc6c45)nc4ccccc34)cc2)cc1
InChIInChI=1S/C50H31N3O/c1-3-14-32(15-4-1)33-28-30-35(31-29-33)48-37-18-7-9-23-41(37)51-50(52-48)40-22-13-27-45-47(40)39-21-12-26-44(49(39)54-45)53-42-24-10-8-19-38(42)46-36(20-11-25-43(46)53)34-16-5-2-6-17-34/h1-31H
InChIKeyUXDLHKCBJLLEEK-UHFFFAOYSA-N
XLogP13.29
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.82
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

14,14-dimethyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 146334317
N-methyl-N,2-diphenyl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazol-3-amine
CID 146337919
9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080349
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole;5-phenyl-11-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-b]carbazole;5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]indolo[3,2-b]carbazole
CID 158659259
4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146335946
3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 146334282
2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 146491011
2,7-diphenyl-9-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazole;3,6-diphenyl-9-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazole;2-phenyl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole;3-phenyl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole;4-phenyl-9-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]carbazole;11-phenyl-12-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]indolo[2,3-a]carbazole;7-phenyl-5-[7-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]indolo[2,3-b]carbazole;9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 161130265
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole
CID 139556525
4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 174250140
7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5-phenylbenzo[c]carbazole
CID 146491296
9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-4-phenylcarbazole;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 161474330

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole?
The IUPAC name of 4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole (CID 146337804) is 4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole?
The canonical SMILES for 4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole is c1ccc(-c2ccc(-c3nc(-c4cccc5oc6c(-n7c8ccccc8c8c(-c9ccccc9)cccc87)cccc6c45)nc4ccccc34)cc2)cc1.
What is the InChIKey of 4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole?
The InChIKey is UXDLHKCBJLLEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3O/c1-3-14-32(15-4-1)33-28-30-35(31-29-33)48-37-18-7-9-23-41(37)51-50(52-48)40-22-13-27-45-47(40)39-21-12-26-44(49(39)54-45)53-42-24-10-8-19-38(42)46-36(20-11-25-43(46)53)34-16-5-2-6-17-34/h1-31H.
What are the key properties of 4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole?
4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole has a molecular weight of 689.82 g/mol, XLogP of 13.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-9-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 146337804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).