5-(5-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-11,12-diphenylindolo[2,3-a]carbazole

C48H32N2O — CID 142551406

IUPAC5-(5-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-11,12-diphenylindolo[2,3-a]carbazole
SMILESC1=CC(c2cccc3c2oc2ccccc23)CC(c2cc3c4ccccc4n(-c4ccccc4)c3c3c2c2ccccc2n3-c2ccccc2)=C1
InChIInChI=1S/C48H32N2O/c1-3-17-33(18-4-1)49-42-26-10-7-21-36(42)41-30-40(45-39-23-8-11-27-43(39)50(47(45)46(41)49)34-19-5-2-6-20-34)32-16-13-15-31(29-32)35-24-14-25-38-37-22-9-12-28-44(37)51-48(35)38/h1-28,30-31H,29H2
InChIKeyBSBGZQICNLMVGY-UHFFFAOYSA-N
MW652.80 g/mol
LogP12.91
Rot. Bonds4

About 5-(5-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-11,12-diphenylindolo[2,3-a]carbazole

5-(5-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-11,12-diphenylindolo[2,3-a]carbazole (PubChem CID 142551406) has the molecular formula C48H32N2O and a molecular weight of 652.80 g/mol. Its IUPAC name is 5-(5-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-11,12-diphenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name5-(5-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-11,12-diphenylindolo[2,3-a]carbazole
PubChem CID142551406
Molecular FormulaC48H32N2O
Molecular Weight652.80 g/mol
Exact Mass652.25
IUPAC Name5-(5-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-11,12-diphenylindolo[2,3-a]carbazole
SMILESC1=CC(c2cccc3c2oc2ccccc23)CC(c2cc3c4ccccc4n(-c4ccccc4)c3c3c2c2ccccc2n3-c2ccccc2)=C1
InChIInChI=1S/C48H32N2O/c1-3-17-33(18-4-1)49-42-26-10-7-21-36(42)41-30-40(45-39-23-8-11-27-43(39)50(47(45)46(41)49)34-19-5-2-6-20-34)32-16-13-15-31(29-32)35-24-14-25-38-37-22-9-12-28-44(37)51-48(35)38/h1-28,30-31H,29H2
InChIKeyBSBGZQICNLMVGY-UHFFFAOYSA-N
XLogP12.91
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118488562
12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785
12-dibenzofuran-4-yl-18-phenyl-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 121369237
12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole
CID 170688597
6-(4-dibenzofuran-4-ylphenyl)-12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 146368988
5-cyclohexa-1,3-dien-1-yl-12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole
CID 130184261
12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90191508
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134530273
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole
CID 134530399
5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252605
19-phenyl-9-oxa-19-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 126737993
6-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 123156036

Frequently Asked Questions

What is the IUPAC name of 5-(5-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-11,12-diphenylindolo[2,3-a]carbazole?
The IUPAC name of 5-(5-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-11,12-diphenylindolo[2,3-a]carbazole (CID 142551406) is 5-(5-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-11,12-diphenylindolo[2,3-a]carbazole.
What is the SMILES notation for 5-(5-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-11,12-diphenylindolo[2,3-a]carbazole?
The canonical SMILES for 5-(5-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-11,12-diphenylindolo[2,3-a]carbazole is C1=CC(c2cccc3c2oc2ccccc23)CC(c2cc3c4ccccc4n(-c4ccccc4)c3c3c2c2ccccc2n3-c2ccccc2)=C1.
What is the InChIKey of 5-(5-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-11,12-diphenylindolo[2,3-a]carbazole?
The InChIKey is BSBGZQICNLMVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O/c1-3-17-33(18-4-1)49-42-26-10-7-21-36(42)41-30-40(45-39-23-8-11-27-43(39)50(47(45)46(41)49)34-19-5-2-6-20-34)32-16-13-15-31(29-32)35-24-14-25-38-37-22-9-12-28-44(37)51-48(35)38/h1-28,30-31H,29H2.
What are the key properties of 5-(5-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-11,12-diphenylindolo[2,3-a]carbazole?
5-(5-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-11,12-diphenylindolo[2,3-a]carbazole has a molecular weight of 652.80 g/mol, XLogP of 12.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-11,12-diphenylindolo[2,3-a]carbazole is sourced from PubChem (CID 142551406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).