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

C81H51N7O7 — CID 156568594

IUPAC6-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
SMILESCC1(C)c2cc(-n3c(=O)c4ccccc4n(-c4ccccc4)c3=O)ccc2-c2ccc(-n3c(=O)c4ccccc4n(-c4ccc(-c5cccc(-n6c(=O)c7cc8c(cc7n(-c7ccccc7)c6=O)c6ccccc6n8-c6cccc7c6oc6ccccc67)c5)cc4)c3=O)cc21
InChIInChI=1S/C81H51N7O7/c1-81(2)65-44-54(86-75(89)61-27-10-14-31-68(61)82(78(86)92)50-20-5-3-6-21-50)39-41-56(65)57-42-40-55(45-66(57)81)87-76(90)62-28-11-15-32-69(62)83(79(87)93)52-37-35-48(36-38-52)49-19-17-24-53(43-49)85-77(91)64-47-71-63(46-72(64)84(80(85)94)51-22-7-4-8-23-51)58-25-9-13-30-67(58)88(71)70-33-18-29-60-59-26-12-16-34-73(59)95-74(60)70/h3-47H,1-2H3
InChIKeyUATARUBHFCTEGH-UHFFFAOYSA-N
MW1234.34 g/mol
LogP15.02
Rot. Bonds8

About 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

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 (PubChem CID 156568594) has the molecular formula C81H51N7O7 and a molecular weight of 1234.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID156568594
Molecular FormulaC81H51N7O7
Molecular Weight1234.34 g/mol
Exact Mass1233.38
IUPAC Name6-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
SMILESCC1(C)c2cc(-n3c(=O)c4ccccc4n(-c4ccccc4)c3=O)ccc2-c2ccc(-n3c(=O)c4ccccc4n(-c4ccc(-c5cccc(-n6c(=O)c7cc8c(cc7n(-c7ccccc7)c6=O)c6ccccc6n8-c6cccc7c6oc6ccccc67)c5)cc4)c3=O)cc21
InChIInChI=1S/C81H51N7O7/c1-81(2)65-44-54(86-75(89)61-27-10-14-31-68(61)82(78(86)92)50-20-5-3-6-21-50)39-41-56(65)57-42-40-55(45-66(57)81)87-76(90)62-28-11-15-32-69(62)83(79(87)93)52-37-35-48(36-38-52)49-19-17-24-53(43-49)85-77(91)64-47-71-63(46-72(64)84(80(85)94)51-22-7-4-8-23-51)58-25-9-13-30-67(58)88(71)70-33-18-29-60-59-26-12-16-34-73(59)95-74(60)70/h3-47H,1-2H3
InChIKeyUATARUBHFCTEGH-UHFFFAOYSA-N
XLogP15.02
TPSA150.07 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001234.34
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

12-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-dibenzofuran-4-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-dibenzofuran-4-yl-3-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 160883753
5-dibenzofuran-4-yl-2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
CID 90191437
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 170277611
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine
CID 71038532
9-[3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)phenyl]-3,6-diphenylcarbazole
CID 118098908
N-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90207151
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158323830
9-dibenzofuran-4-yl-3-triphenylen-2-ylcarbazole;3-(9-phenylcarbazol-2-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(3-triphenylen-2-ylcarbazol-9-yl)carbazole;3-phenyl-9-(3-triphenylen-2-ylphenyl)carbazole;pentakis(prop-1-ene);9-(3-triphenylen-2-ylphenyl)carbazole
CID 159796899
7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;4-(4-carbazol-9-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;4-(4-carbazol-9-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159597633
3-[9-dibenzofuran-4-yl-6-[3-[8-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzofuran-4-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole
CID 137420572

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-n3c(=O)c4ccccc4n(-c4ccccc4)c3=O)ccc2-c2ccc(-n3c(=O)c4ccccc4n(-c4ccc(-c5cccc(-n6c(=O)c7cc8c(cc7n(-c7ccccc7)c6=O)c6ccccc6n8-c6cccc7c6oc6ccccc67)c5)cc4)c3=O)cc21.
What is the InChIKey of 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?
The InChIKey is UATARUBHFCTEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H51N7O7/c1-81(2)65-44-54(86-75(89)61-27-10-14-31-68(61)82(78(86)92)50-20-5-3-6-21-50)39-41-56(65)57-42-40-55(45-66(57)81)87-76(90)62-28-11-15-32-69(62)83(79(87)93)52-37-35-48(36-38-52)49-19-17-24-53(43-49)85-77(91)64-47-71-63(46-72(64)84(80(85)94)51-22-7-4-8-23-51)58-25-9-13-30-67(58)88(71)70-33-18-29-60-59-26-12-16-34-73(59)95-74(60)70/h3-47H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1234.34 g/mol, XLogP of 15.02, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156568594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).