9-[9-(2-phenyl-1,2-dihydroquinazolin-4-yl)dibenzofuran-4-yl]-1,2-dihydrocarbazole

C38H27N3O — CID 167200869

IUPAC9-[9-(2-phenyl-1,2-dihydroquinazolin-4-yl)dibenzofuran-4-yl]-1,2-dihydrocarbazole
SMILESC1=Cc2c(n(-c3cccc4c3oc3cccc(C5=NC(c6ccccc6)Nc6ccccc65)c34)c3ccccc23)CC1
InChIInChI=1S/C38H27N3O/c1-2-12-24(13-3-1)38-39-30-19-7-4-16-27(30)36(40-38)28-17-11-23-34-35(28)29-18-10-22-33(37(29)42-34)41-31-20-8-5-14-25(31)26-15-6-9-21-32(26)41/h1-8,10-20,22-23,38-39H,9,21H2
InChIKeyJZZWJIJHUBOCDJ-UHFFFAOYSA-N
MW541.65 g/mol
LogP9.45
Rot. Bonds3

About 9-[9-(2-phenyl-1,2-dihydroquinazolin-4-yl)dibenzofuran-4-yl]-1,2-dihydrocarbazole

9-[9-(2-phenyl-1,2-dihydroquinazolin-4-yl)dibenzofuran-4-yl]-1,2-dihydrocarbazole (PubChem CID 167200869) has the molecular formula C38H27N3O and a molecular weight of 541.65 g/mol. Its IUPAC name is 9-[9-(2-phenyl-1,2-dihydroquinazolin-4-yl)dibenzofuran-4-yl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-[9-(2-phenyl-1,2-dihydroquinazolin-4-yl)dibenzofuran-4-yl]-1,2-dihydrocarbazole
PubChem CID167200869
Molecular FormulaC38H27N3O
Molecular Weight541.65 g/mol
Exact Mass541.22
IUPAC Name9-[9-(2-phenyl-1,2-dihydroquinazolin-4-yl)dibenzofuran-4-yl]-1,2-dihydrocarbazole
SMILESC1=Cc2c(n(-c3cccc4c3oc3cccc(C5=NC(c6ccccc6)Nc6ccccc65)c34)c3ccccc23)CC1
InChIInChI=1S/C38H27N3O/c1-2-12-24(13-3-1)38-39-30-19-7-4-16-27(30)36(40-38)28-17-11-23-34-35(28)29-18-10-22-33(37(29)42-34)41-31-20-8-5-14-25(31)26-15-6-9-21-32(26)41/h1-8,10-20,22-23,38-39H,9,21H2
InChIKeyJZZWJIJHUBOCDJ-UHFFFAOYSA-N
XLogP9.45
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.65
LogP ≤ 59.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole
CID 166670429
N-[1-[3-[6-(1,2-dihydrocarbazol-9-yl)dibenzofuran-1-yl]phenyl]ethenyl]methanimine
CID 166988428
2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole
CID 146337811
9-[18-[3-(8-phenyldibenzofuran-2-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-yl]-1,2-dihydrocarbazole
CID 67953551
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-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]-1,2-dihydrocarbazole
CID 163879853
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-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole
CID 166961329
5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 167200347
3,6-diphenyl-9-[9-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]carbazole
CID 146337785
9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole
CID 134388922
5-[2-[3-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 126695503

Frequently Asked Questions

What is the IUPAC name of 9-[9-(2-phenyl-1,2-dihydroquinazolin-4-yl)dibenzofuran-4-yl]-1,2-dihydrocarbazole?
The IUPAC name of 9-[9-(2-phenyl-1,2-dihydroquinazolin-4-yl)dibenzofuran-4-yl]-1,2-dihydrocarbazole (CID 167200869) is 9-[9-(2-phenyl-1,2-dihydroquinazolin-4-yl)dibenzofuran-4-yl]-1,2-dihydrocarbazole.
What is the SMILES notation for 9-[9-(2-phenyl-1,2-dihydroquinazolin-4-yl)dibenzofuran-4-yl]-1,2-dihydrocarbazole?
The canonical SMILES for 9-[9-(2-phenyl-1,2-dihydroquinazolin-4-yl)dibenzofuran-4-yl]-1,2-dihydrocarbazole is C1=Cc2c(n(-c3cccc4c3oc3cccc(C5=NC(c6ccccc6)Nc6ccccc65)c34)c3ccccc23)CC1.
What is the InChIKey of 9-[9-(2-phenyl-1,2-dihydroquinazolin-4-yl)dibenzofuran-4-yl]-1,2-dihydrocarbazole?
The InChIKey is JZZWJIJHUBOCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3O/c1-2-12-24(13-3-1)38-39-30-19-7-4-16-27(30)36(40-38)28-17-11-23-34-35(28)29-18-10-22-33(37(29)42-34)41-31-20-8-5-14-25(31)26-15-6-9-21-32(26)41/h1-8,10-20,22-23,38-39H,9,21H2.
What are the key properties of 9-[9-(2-phenyl-1,2-dihydroquinazolin-4-yl)dibenzofuran-4-yl]-1,2-dihydrocarbazole?
9-[9-(2-phenyl-1,2-dihydroquinazolin-4-yl)dibenzofuran-4-yl]-1,2-dihydrocarbazole has a molecular weight of 541.65 g/mol, XLogP of 9.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(2-phenyl-1,2-dihydroquinazolin-4-yl)dibenzofuran-4-yl]-1,2-dihydrocarbazole is sourced from PubChem (CID 167200869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).