7-dibenzofuran-4-yl-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole

C57H36N2O2 — CID 134223321

IUPAC7-dibenzofuran-4-yl-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5cccc6c5oc5ccccc56)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C57H36N2O2/c1-57(2)46-19-9-6-15-36(46)40-29-43-41-27-33(23-25-48(41)58(51(43)31-47(40)57)35-13-4-3-5-14-35)34-24-26-49-42(28-34)44-30-45-38-17-8-10-21-53(38)60-55(45)32-52(44)59(49)50-20-12-18-39-37-16-7-11-22-54(37)61-56(39)50/h3-32H,1-2H3
InChIKeyIUDYPQMBGGVMPC-UHFFFAOYSA-N
MW780.93 g/mol
LogP15.65
Rot. Bonds3

About 7-dibenzofuran-4-yl-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole

7-dibenzofuran-4-yl-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223321) has the molecular formula C57H36N2O2 and a molecular weight of 780.93 g/mol. Its IUPAC name is 7-dibenzofuran-4-yl-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-dibenzofuran-4-yl-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID134223321
Molecular FormulaC57H36N2O2
Molecular Weight780.93 g/mol
Exact Mass780.28
IUPAC Name7-dibenzofuran-4-yl-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5cccc6c5oc5ccccc56)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C57H36N2O2/c1-57(2)46-19-9-6-15-36(46)40-29-43-41-27-33(23-25-48(41)58(51(43)31-47(40)57)35-13-4-3-5-14-35)34-24-26-49-42(28-34)44-30-45-38-17-8-10-21-53(38)60-55(45)32-52(44)59(49)50-20-12-18-39-37-16-7-11-22-54(37)61-56(39)50/h3-32H,1-2H3
InChIKeyIUDYPQMBGGVMPC-UHFFFAOYSA-N
XLogP15.65
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.93
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile
CID 129291104
3-(9-Fluoro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-(6-fluoro-[1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile
CID 129291269
N-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzofuran-3-amine
CID 129085125
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine
CID 129123770
9-Phenyl-2-[2-(9-phenylcarbazol-2-yl)dibenzofuran-4-yl]carbazole
CID 129127331
19-(3,5-Diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 129141836
4-[3-(9-Dibenzofuran-2-ylcarbazol-2-yl)-5-phenylphenyl]-9-phenylcarbazole
CID 129225640
5-[4-([1]Benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-carbazol-9-ylbenzonitrile
CID 129290845
2-([1]Benzofuro[2,3-b]carbazol-7-yl)-3-(3-carbazol-9-ylphenyl)benzonitrile
CID 129291047
4-([1]Benzofuro[3,2-a]carbazol-12-yl)-5-(3-carbazol-9-yl-2-cyanophenyl)benzene-1,2-dicarbonitrile
CID 129291067
3-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 129291111
2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 129291120

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-4-yl-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-dibenzofuran-4-yl-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole (CID 134223321) is 7-dibenzofuran-4-yl-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-dibenzofuran-4-yl-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-dibenzofuran-4-yl-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5cccc6c5oc5ccccc56)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 7-dibenzofuran-4-yl-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is IUDYPQMBGGVMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2O2/c1-57(2)46-19-9-6-15-36(46)40-29-43-41-27-33(23-25-48(41)58(51(43)31-47(40)57)35-13-4-3-5-14-35)34-24-26-49-42(28-34)44-30-45-38-17-8-10-21-53(38)60-55(45)32-52(44)59(49)50-20-12-18-39-37-16-7-11-22-54(37)61-56(39)50/h3-32H,1-2H3.
What are the key properties of 7-dibenzofuran-4-yl-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole?
7-dibenzofuran-4-yl-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 780.93 g/mol, XLogP of 15.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzofuran-4-yl-10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).