2-cyclohexa-1,3-dien-1-yl-7-phenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole

C50H33N3O — CID 146334331

IUPAC2-cyclohexa-1,3-dien-1-yl-7-phenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole
SMILESC1=CCCC(c2ccc3c4ccc(-c5ccccc5)cc4n(-c4ccc5c(c4)oc4cccc(-c6nc(-c7ccccc7)nc7ccccc67)c45)c3c2)=C1
InChIInChI=1S/C50H33N3O/c1-4-13-32(14-5-1)35-23-26-38-39-27-24-36(33-15-6-2-7-16-33)30-45(39)53(44(38)29-35)37-25-28-41-47(31-37)54-46-22-12-20-42(48(41)46)49-40-19-10-11-21-43(40)51-50(52-49)34-17-8-3-9-18-34/h1-6,8-15,17-31H,7,16H2
InChIKeyMHWFMDHJLSECCX-UHFFFAOYSA-N
MW691.83 g/mol
LogP13.36
Rot. Bonds5

About 2-cyclohexa-1,3-dien-1-yl-7-phenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole

2-cyclohexa-1,3-dien-1-yl-7-phenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole (PubChem CID 146334331) has the molecular formula C50H33N3O and a molecular weight of 691.83 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-7-phenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-7-phenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole
PubChem CID146334331
Molecular FormulaC50H33N3O
Molecular Weight691.83 g/mol
Exact Mass691.26
IUPAC Name2-cyclohexa-1,3-dien-1-yl-7-phenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole
SMILESC1=CCCC(c2ccc3c4ccc(-c5ccccc5)cc4n(-c4ccc5c(c4)oc4cccc(-c6nc(-c7ccccc7)nc7ccccc67)c45)c3c2)=C1
InChIInChI=1S/C50H33N3O/c1-4-13-32(14-5-1)35-23-26-38-39-27-24-36(33-15-6-2-7-16-33)30-45(39)53(44(38)29-35)37-25-28-41-47(31-37)54-46-22-12-20-42(48(41)46)49-40-19-10-11-21-43(40)51-50(52-49)34-17-8-3-9-18-34/h1-6,8-15,17-31H,7,16H2
InChIKeyMHWFMDHJLSECCX-UHFFFAOYSA-N
XLogP13.36
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.83
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole;2,7-diphenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole;3,6-diphenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole
CID 158774380
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-3-phenylcarbazole
CID 157148440
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(4-phenylphenyl)dibenzofuran-3-yl]carbazole
CID 170081092
2,6-diphenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146334196
2-cyclohexa-1,3-dien-1-yl-9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 155203381
9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole
CID 134594831
9-(4-dibenzofuran-1-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole
CID 171437931
5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole
CID 146334039
9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 146519902
9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole
CID 134594925
9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 146334377
2-dibenzofuran-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161252356

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-7-phenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-7-phenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole (CID 146334331) is 2-cyclohexa-1,3-dien-1-yl-7-phenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-7-phenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-7-phenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole is C1=CCCC(c2ccc3c4ccc(-c5ccccc5)cc4n(-c4ccc5c(c4)oc4cccc(-c6nc(-c7ccccc7)nc7ccccc67)c45)c3c2)=C1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-7-phenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole?
The InChIKey is MHWFMDHJLSECCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3O/c1-4-13-32(14-5-1)35-23-26-38-39-27-24-36(33-15-6-2-7-16-33)30-45(39)53(44(38)29-35)37-25-28-41-47(31-37)54-46-22-12-20-42(48(41)46)49-40-19-10-11-21-43(40)51-50(52-49)34-17-8-3-9-18-34/h1-6,8-15,17-31H,7,16H2.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-7-phenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole?
2-cyclohexa-1,3-dien-1-yl-7-phenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole has a molecular weight of 691.83 g/mol, XLogP of 13.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-7-phenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 146334331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).