7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole

C55H36N2O — CID 126580144

IUPAC7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole
SMILESCC1(C)c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c5cc43)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C55H36N2O/c1-55(2)47-30-36(27-29-39(47)43-28-24-33-12-3-4-13-37(33)53(43)55)57-49-20-9-6-15-41(49)46-31-45-40-14-5-8-19-48(40)56(50(45)32-51(46)57)35-25-22-34(23-26-35)38-17-11-18-44-42-16-7-10-21-52(42)58-54(38)44/h3-32H,1-2H3
InChIKeyWHLOAGSCZIJGRZ-UHFFFAOYSA-N
MW740.91 g/mol
LogP14.91
Rot. Bonds3

About 7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole

7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole (PubChem CID 126580144) has the molecular formula C55H36N2O and a molecular weight of 740.91 g/mol. Its IUPAC name is 7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole
PubChem CID126580144
Molecular FormulaC55H36N2O
Molecular Weight740.91 g/mol
Exact Mass740.28
IUPAC Name7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole
SMILESCC1(C)c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c5cc43)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C55H36N2O/c1-55(2)47-30-36(27-29-39(47)43-28-24-33-12-3-4-13-37(33)53(43)55)57-49-20-9-6-15-41(49)46-31-45-40-14-5-8-19-48(40)56(50(45)32-51(46)57)35-25-22-34(23-26-35)38-17-11-18-44-42-16-7-10-21-52(42)58-54(38)44/h3-32H,1-2H3
InChIKeyWHLOAGSCZIJGRZ-UHFFFAOYSA-N
XLogP14.91
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[b]fluoren-2-yl)indolo[2,3-b]carbazole
CID 126580142
7-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-ylindolo[2,3-b]carbazole
CID 126580139
3,6-di(dibenzofuran-4-yl)-9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazole
CID 118098971
5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 90191504
9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 129193103
5-dibenzofuran-4-yl-7-(4-naphthalen-1-ylphenyl)indolo[2,3-b]carbazole
CID 167029628
11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 90225215
7-carbazol-9-yl-N-[4-[3-[3-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 88848908
5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90225202
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
5-(3-dibenzofuran-4-ylphenyl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 171414718
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 161439456

Frequently Asked Questions

What is the IUPAC name of 7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole?
The IUPAC name of 7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole (CID 126580144) is 7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole.
What is the SMILES notation for 7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole?
The canonical SMILES for 7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole is CC1(C)c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c5cc43)ccc2-c2ccc3ccccc3c21.
What is the InChIKey of 7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole?
The InChIKey is WHLOAGSCZIJGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2O/c1-55(2)47-30-36(27-29-39(47)43-28-24-33-12-3-4-13-37(33)53(43)55)57-49-20-9-6-15-41(49)46-31-45-40-14-5-8-19-48(40)56(50(45)32-51(46)57)35-25-22-34(23-26-35)38-17-11-18-44-42-16-7-10-21-52(42)58-54(38)44/h3-32H,1-2H3.
What are the key properties of 7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole?
7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole has a molecular weight of 740.91 g/mol, XLogP of 14.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole is sourced from PubChem (CID 126580144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).