12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole

C36H21NO2 — CID 171612107

IUPAC12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)cc3c2oc2ccccc23)cc1
InChIInChI=1S/C36H21NO2/c1-2-10-22(11-3-1)29-20-23(21-30-26-14-6-9-17-33(26)38-35(29)30)37-31-15-7-4-12-24(31)27-18-19-28-25-13-5-8-16-32(25)39-36(28)34(27)37/h1-21H
InChIKeyKLOQNPGYVAFZKI-UHFFFAOYSA-N
MW499.57 g/mol
LogP10.25
Rot. Bonds2

About 12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole

12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 171612107) has the molecular formula C36H21NO2 and a molecular weight of 499.57 g/mol. Its IUPAC name is 12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole
PubChem CID171612107
Molecular FormulaC36H21NO2
Molecular Weight499.57 g/mol
Exact Mass499.16
IUPAC Name12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)cc3c2oc2ccccc23)cc1
InChIInChI=1S/C36H21NO2/c1-2-10-22(11-3-1)29-20-23(21-30-26-14-6-9-17-33(26)38-35(29)30)37-31-15-7-4-12-24(31)27-18-19-28-25-13-5-8-16-32(25)39-36(28)34(27)37/h1-21H
InChIKeyKLOQNPGYVAFZKI-UHFFFAOYSA-N
XLogP10.25
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 171612099
12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 122548582
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyldibenzofuran-2-yl)indolo[3,2-c]carbazole
CID 168809412
12-(5-phenylnaphthalen-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 118502601
12-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole
CID 168809550
12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510159
12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785
N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline
CID 156521426
12-[3-(6-phenylpyren-1-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 176780527
7-dibenzofuran-4-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828575
12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
CID 126580151
12,18-di(dibenzofuran-2-yl)-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121286461

Frequently Asked Questions

What is the IUPAC name of 12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole (CID 171612107) is 12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)cc3c2oc2ccccc23)cc1.
What is the InChIKey of 12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is KLOQNPGYVAFZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NO2/c1-2-10-22(11-3-1)29-20-23(21-30-26-14-6-9-17-33(26)38-35(29)30)37-31-15-7-4-12-24(31)27-18-19-28-25-13-5-8-16-32(25)39-36(28)34(27)37/h1-21H.
What are the key properties of 12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole?
12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 499.57 g/mol, XLogP of 10.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 171612107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).