9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole

C44H29N3O — CID 166670429

IUPAC9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2ccc(C3=NC(c4cccc5oc6c(-n7c8ccccc8c8ccccc87)cccc6c45)Nc4ccccc43)cc2)cc1
InChIInChI=1S/C44H29N3O/c1-2-12-28(13-3-1)29-24-26-30(27-25-29)42-33-16-4-7-19-36(33)45-44(46-42)35-18-11-23-40-41(35)34-17-10-22-39(43(34)48-40)47-37-20-8-5-14-31(37)32-15-6-9-21-38(32)47/h1-27,44-45H
InChIKeyPTGDAPITBYQNQH-UHFFFAOYSA-N
MW615.74 g/mol
LogP11.31
Rot. Bonds4

About 9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole

9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole (PubChem CID 166670429) has the molecular formula C44H29N3O and a molecular weight of 615.74 g/mol. Its IUPAC name is 9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole
PubChem CID166670429
Molecular FormulaC44H29N3O
Molecular Weight615.74 g/mol
Exact Mass615.23
IUPAC Name9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2ccc(C3=NC(c4cccc5oc6c(-n7c8ccccc8c8ccccc87)cccc6c45)Nc4ccccc43)cc2)cc1
InChIInChI=1S/C44H29N3O/c1-2-12-28(13-3-1)29-24-26-30(27-25-29)42-33-16-4-7-19-36(33)45-44(46-42)35-18-11-23-40-41(35)34-17-10-22-39(43(34)48-40)47-37-20-8-5-14-31(37)32-15-6-9-21-38(32)47/h1-27,44-45H
InChIKeyPTGDAPITBYQNQH-UHFFFAOYSA-N
XLogP11.31
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 511.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole
CID 146337811
4-phenyl-2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-1-yl]-1,2-dihydroquinazoline
CID 170281920
3-[9-[4-(2-dibenzofuran-4-yl-1,2-dihydroquinazolin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 139307181
2,7-diphenyl-9-[9-(4-phenyl-2,3-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole
CID 146337573
9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole
CID 166670199
9-[9-(2-phenyl-1,2-dihydroquinazolin-4-yl)dibenzofuran-4-yl]-1,2-dihydrocarbazole
CID 167200869
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797
9-[9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 163754260
9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080349
3,6-diphenyl-9-[9-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]carbazole
CID 146337785
9-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]carbazole
CID 166962294
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652

Frequently Asked Questions

What is the IUPAC name of 9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole (CID 166670429) is 9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole is c1ccc(-c2ccc(C3=NC(c4cccc5oc6c(-n7c8ccccc8c8ccccc87)cccc6c45)Nc4ccccc43)cc2)cc1.
What is the InChIKey of 9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole?
The InChIKey is PTGDAPITBYQNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O/c1-2-12-28(13-3-1)29-24-26-30(27-25-29)42-33-16-4-7-19-36(33)45-44(46-42)35-18-11-23-40-41(35)34-17-10-22-39(43(34)48-40)47-37-20-8-5-14-31(37)32-15-6-9-21-38(32)47/h1-27,44-45H.
What are the key properties of 9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole?
9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole has a molecular weight of 615.74 g/mol, XLogP of 11.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 166670429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).