2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole

C47H31N3O — CID 90129204

IUPAC2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5ccc(-c6ccc7oc8ccccc8c7c6)cc54)nc4ccccc34)cc21
InChIInChI=1S/C47H31N3O/c1-47(2)38-15-7-3-11-31(38)32-22-20-30(26-39(32)47)45-36-14-4-8-16-40(36)48-46(49-45)50-41-17-9-5-12-33(41)34-23-19-29(27-42(34)50)28-21-24-44-37(25-28)35-13-6-10-18-43(35)51-44/h3-27H,1-2H3
InChIKeyDLQXCYJOPWAMIT-UHFFFAOYSA-N
MW653.79 g/mol
LogP12.27
Rot. Bonds3

About 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole

2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole (PubChem CID 90129204) has the molecular formula C47H31N3O and a molecular weight of 653.79 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole
PubChem CID90129204
Molecular FormulaC47H31N3O
Molecular Weight653.79 g/mol
Exact Mass653.25
IUPAC Name2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5ccc(-c6ccc7oc8ccccc8c7c6)cc54)nc4ccccc34)cc21
InChIInChI=1S/C47H31N3O/c1-47(2)38-15-7-3-11-31(38)32-22-20-30(26-39(32)47)45-36-14-4-8-16-40(36)48-46(49-45)50-41-17-9-5-12-33(41)34-23-19-29(27-42(34)50)28-21-24-44-37(25-28)35-13-6-10-18-43(35)51-44/h3-27H,1-2H3
InChIKeyDLQXCYJOPWAMIT-UHFFFAOYSA-N
XLogP12.27
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.79
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 67701944
7-(4-Dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole
CID 71109047
12-[4-(4-Dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole
CID 71291224
7-[4-[4-(4-Fluorophenyl)-6-phenylpyrimidin-2-yl]phenyl]-10-naphtho[2,1-b][1]benzofuran-5-ylbenzo[c]carbazole
CID 89590550
4-[4-[4-(7-Fluorodibenzofuran-2-yl)phenyl]phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 89991446
4-[3,5-Di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 89991528
2-[3,5-Di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine
CID 89991721
2-[3,5-Di(dibenzofuran-4-yl)phenyl]-4-(4-fluorophenyl)-6-phenylpyrimidine
CID 89991820
4-[3,5-Di(dibenzofuran-4-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 89992006
2-Dibenzofuran-2-yl-9-[4-(4-fluorophenyl)quinazolin-2-yl]carbazole
CID 90129255
3-Dibenzofuran-3-yl-9-[4-[4-(4-fluorophenyl)quinazolin-2-yl]phenyl]carbazole
CID 90129267
9-[4-[6-[4-(7-Fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 117659684

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole?
The IUPAC name of 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole (CID 90129204) is 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole.
What is the SMILES notation for 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole?
The canonical SMILES for 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5ccc(-c6ccc7oc8ccccc8c7c6)cc54)nc4ccccc34)cc21.
What is the InChIKey of 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole?
The InChIKey is DLQXCYJOPWAMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O/c1-47(2)38-15-7-3-11-31(38)32-22-20-30(26-39(32)47)45-36-14-4-8-16-40(36)48-46(49-45)50-41-17-9-5-12-33(41)34-23-19-29(27-42(34)50)28-21-24-44-37(25-28)35-13-6-10-18-43(35)51-44/h3-27H,1-2H3.
What are the key properties of 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole?
2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole has a molecular weight of 653.79 g/mol, XLogP of 12.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazole is sourced from PubChem (CID 90129204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).