12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole

C48H30N2O2 — CID 170277898

IUPAC12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
SMILESC1=CC2c3ccccc3N(c3ccccc3)C2c2c1c1ccccc1n2-c1ccc2c(c1)oc1cccc(-c3cccc4c3oc3ccccc34)c12
InChIInChI=1S/C48H30N2O2/c1-2-12-29(13-3-1)49-40-20-7-4-14-31(40)35-26-27-36-32-15-5-8-21-41(32)50(47(36)46(35)49)30-24-25-39-44(28-30)51-43-23-11-17-34(45(39)43)38-19-10-18-37-33-16-6-9-22-42(33)52-48(37)38/h1-28,35,46H
InChIKeyURYMOCDAMRKBDT-UHFFFAOYSA-N
MW666.78 g/mol
LogP13.10
Rot. Bonds3

About 12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole

12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole (PubChem CID 170277898) has the molecular formula C48H30N2O2 and a molecular weight of 666.78 g/mol. Its IUPAC name is 12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
PubChem CID170277898
Molecular FormulaC48H30N2O2
Molecular Weight666.78 g/mol
Exact Mass666.23
IUPAC Name12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
SMILESC1=CC2c3ccccc3N(c3ccccc3)C2c2c1c1ccccc1n2-c1ccc2c(c1)oc1cccc(-c3cccc4c3oc3ccccc34)c12
InChIInChI=1S/C48H30N2O2/c1-2-12-29(13-3-1)49-40-20-7-4-14-31(40)35-26-27-36-32-15-5-8-21-41(32)50(47(36)46(35)49)30-24-25-39-44(28-30)51-43-23-11-17-34(45(39)43)38-19-10-18-37-33-16-6-9-22-42(33)52-48(37)38/h1-28,35,46H
InChIKeyURYMOCDAMRKBDT-UHFFFAOYSA-N
XLogP13.10
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.78
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-(9-dibenzofuran-1-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170287498
12-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170279117
9-(6-dibenzofuran-1-yldibenzofuran-3-yl)carbazole
CID 170688633
11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170287575
12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole
CID 170688597
7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole
CID 174275456
9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole
CID 163467703
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole
CID 87486905
9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenyl-4a,9a-dihydrocarbazole
CID 166988242
3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole
CID 170137084
9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole
CID 170285075
9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole;9-(7-carbazol-9-yldibenzofuran-2-yl)carbazole;9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole;9-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole
CID 159764612

Frequently Asked Questions

What is the IUPAC name of 12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole?
The IUPAC name of 12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole (CID 170277898) is 12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole?
The canonical SMILES for 12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole is C1=CC2c3ccccc3N(c3ccccc3)C2c2c1c1ccccc1n2-c1ccc2c(c1)oc1cccc(-c3cccc4c3oc3ccccc34)c12.
What is the InChIKey of 12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole?
The InChIKey is URYMOCDAMRKBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O2/c1-2-12-29(13-3-1)49-40-20-7-4-14-31(40)35-26-27-36-32-15-5-8-21-41(32)50(47(36)46(35)49)30-24-25-39-44(28-30)51-43-23-11-17-34(45(39)43)38-19-10-18-37-33-16-6-9-22-42(33)52-48(37)38/h1-28,35,46H.
What are the key properties of 12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole?
12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole has a molecular weight of 666.78 g/mol, XLogP of 13.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 170277898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).