3-(4-dibenzofuran-4-ylphenyl)-1-[4-[4-[3-(9,9-dimethylfluoren-4-yl)-1-(3-phenylphenyl)propyl]phenyl]phenyl]quinazoline-2,4-dione

C68H50N2O3 — CID 156568592

IUPAC3-(4-dibenzofuran-4-ylphenyl)-1-[4-[4-[3-(9,9-dimethylfluoren-4-yl)-1-(3-phenylphenyl)propyl]phenyl]phenyl]quinazoline-2,4-dione
SMILESCC1(C)c2ccccc2-c2c(CCC(c3ccc(-c4ccc(-n5c(=O)n(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c(=O)c6ccccc65)cc4)cc3)c3cccc(-c4ccccc4)c3)cccc21
InChIInChI=1S/C68H50N2O3/c1-68(2)60-25-9-6-21-58(60)64-49(17-13-26-61(64)68)37-42-54(51-19-12-18-50(43-51)44-15-4-3-5-16-44)47-31-29-45(30-32-47)46-33-38-52(39-34-46)69-62-27-10-7-22-59(62)66(71)70(67(69)72)53-40-35-48(36-41-53)55-23-14-24-57-56-20-8-11-28-63(56)73-65(55)57/h3-36,38-41,43,54H,37,42H2,1-2H3
InChIKeyDMJRBULINCXCFQ-UHFFFAOYSA-N
MW943.16 g/mol
LogP16.11
Rot. Bonds10

About 3-(4-dibenzofuran-4-ylphenyl)-1-[4-[4-[3-(9,9-dimethylfluoren-4-yl)-1-(3-phenylphenyl)propyl]phenyl]phenyl]quinazoline-2,4-dione

3-(4-dibenzofuran-4-ylphenyl)-1-[4-[4-[3-(9,9-dimethylfluoren-4-yl)-1-(3-phenylphenyl)propyl]phenyl]phenyl]quinazoline-2,4-dione (PubChem CID 156568592) has the molecular formula C68H50N2O3 and a molecular weight of 943.16 g/mol. Its IUPAC name is 3-(4-dibenzofuran-4-ylphenyl)-1-[4-[4-[3-(9,9-dimethylfluoren-4-yl)-1-(3-phenylphenyl)propyl]phenyl]phenyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(4-dibenzofuran-4-ylphenyl)-1-[4-[4-[3-(9,9-dimethylfluoren-4-yl)-1-(3-phenylphenyl)propyl]phenyl]phenyl]quinazoline-2,4-dione
PubChem CID156568592
Molecular FormulaC68H50N2O3
Molecular Weight943.16 g/mol
Exact Mass942.38
IUPAC Name3-(4-dibenzofuran-4-ylphenyl)-1-[4-[4-[3-(9,9-dimethylfluoren-4-yl)-1-(3-phenylphenyl)propyl]phenyl]phenyl]quinazoline-2,4-dione
SMILESCC1(C)c2ccccc2-c2c(CCC(c3ccc(-c4ccc(-n5c(=O)n(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c(=O)c6ccccc65)cc4)cc3)c3cccc(-c4ccccc4)c3)cccc21
InChIInChI=1S/C68H50N2O3/c1-68(2)60-25-9-6-21-58(60)64-49(17-13-26-61(64)68)37-42-54(51-19-12-18-50(43-51)44-15-4-3-5-16-44)47-31-29-45(30-32-47)46-33-38-52(39-34-46)69-62-27-10-7-22-59(62)66(71)70(67(69)72)53-40-35-48(36-41-53)55-23-14-24-57-56-20-8-11-28-63(56)73-65(55)57/h3-36,38-41,43,54H,37,42H2,1-2H3
InChIKeyDMJRBULINCXCFQ-UHFFFAOYSA-N
XLogP16.11
TPSA57.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.16
LogP ≤ 516.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole
CID 166895590
6-dibenzofuran-4-yl-3-[3-[4-[3-[7-(2,4-dioxo-1-phenylquinazolin-3-yl)-9,9-dimethylfluoren-2-yl]-2,4-dioxoquinazolin-1-yl]phenyl]phenyl]-1-phenylpyrimido[5,4-b]carbazole-2,4-dione
CID 156568594
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-6,9-diphenylcarbazole
CID 118099217
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole
CID 121449411
4'-[3-[3-dibenzofuran-4-yl-1-(4-phenylphenyl)propyl]phenyl]spiro[fluorene-9,9'-xanthene]
CID 123642938
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
CID 126580169
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole
CID 118099209
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine;ethane
CID 157195267
N-dibenzofuran-3-yl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 165012429

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-4-ylphenyl)-1-[4-[4-[3-(9,9-dimethylfluoren-4-yl)-1-(3-phenylphenyl)propyl]phenyl]phenyl]quinazoline-2,4-dione?
The IUPAC name of 3-(4-dibenzofuran-4-ylphenyl)-1-[4-[4-[3-(9,9-dimethylfluoren-4-yl)-1-(3-phenylphenyl)propyl]phenyl]phenyl]quinazoline-2,4-dione (CID 156568592) is 3-(4-dibenzofuran-4-ylphenyl)-1-[4-[4-[3-(9,9-dimethylfluoren-4-yl)-1-(3-phenylphenyl)propyl]phenyl]phenyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(4-dibenzofuran-4-ylphenyl)-1-[4-[4-[3-(9,9-dimethylfluoren-4-yl)-1-(3-phenylphenyl)propyl]phenyl]phenyl]quinazoline-2,4-dione?
The canonical SMILES for 3-(4-dibenzofuran-4-ylphenyl)-1-[4-[4-[3-(9,9-dimethylfluoren-4-yl)-1-(3-phenylphenyl)propyl]phenyl]phenyl]quinazoline-2,4-dione is CC1(C)c2ccccc2-c2c(CCC(c3ccc(-c4ccc(-n5c(=O)n(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c(=O)c6ccccc65)cc4)cc3)c3cccc(-c4ccccc4)c3)cccc21.
What is the InChIKey of 3-(4-dibenzofuran-4-ylphenyl)-1-[4-[4-[3-(9,9-dimethylfluoren-4-yl)-1-(3-phenylphenyl)propyl]phenyl]phenyl]quinazoline-2,4-dione?
The InChIKey is DMJRBULINCXCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50N2O3/c1-68(2)60-25-9-6-21-58(60)64-49(17-13-26-61(64)68)37-42-54(51-19-12-18-50(43-51)44-15-4-3-5-16-44)47-31-29-45(30-32-47)46-33-38-52(39-34-46)69-62-27-10-7-22-59(62)66(71)70(67(69)72)53-40-35-48(36-41-53)55-23-14-24-57-56-20-8-11-28-63(56)73-65(55)57/h3-36,38-41,43,54H,37,42H2,1-2H3.
What are the key properties of 3-(4-dibenzofuran-4-ylphenyl)-1-[4-[4-[3-(9,9-dimethylfluoren-4-yl)-1-(3-phenylphenyl)propyl]phenyl]phenyl]quinazoline-2,4-dione?
3-(4-dibenzofuran-4-ylphenyl)-1-[4-[4-[3-(9,9-dimethylfluoren-4-yl)-1-(3-phenylphenyl)propyl]phenyl]phenyl]quinazoline-2,4-dione has a molecular weight of 943.16 g/mol, XLogP of 16.11, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzofuran-4-ylphenyl)-1-[4-[4-[3-(9,9-dimethylfluoren-4-yl)-1-(3-phenylphenyl)propyl]phenyl]phenyl]quinazoline-2,4-dione is sourced from PubChem (CID 156568592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).