11-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline

C48H32N2O — CID 138661186

IUPAC11-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5cccc(-c6c7ccccc7nc7oc8ccccc8c67)c5)c4)c3cc21
InChIInChI=1S/C48H32N2O/c1-48(2)39-21-7-3-17-33(39)37-27-38-34-18-5-9-23-42(34)50(43(38)28-40(37)48)32-16-12-14-30(26-32)29-13-11-15-31(25-29)45-35-19-4-8-22-41(35)49-47-46(45)36-20-6-10-24-44(36)51-47/h3-28H,1-2H3
InChIKeyOPCZLOWMPCJMKQ-UHFFFAOYSA-N
MW652.80 g/mol
LogP12.87
Rot. Bonds3

About 11-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline

11-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline (PubChem CID 138661186) has the molecular formula C48H32N2O and a molecular weight of 652.80 g/mol. Its IUPAC name is 11-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name11-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline
PubChem CID138661186
Molecular FormulaC48H32N2O
Molecular Weight652.80 g/mol
Exact Mass652.25
IUPAC Name11-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5cccc(-c6c7ccccc7nc7oc8ccccc8c67)c5)c4)c3cc21
InChIInChI=1S/C48H32N2O/c1-48(2)39-21-7-3-17-33(39)37-27-38-34-18-5-9-23-42(34)50(43(38)28-40(37)48)32-16-12-14-30(26-32)29-13-11-15-31(25-29)45-35-19-4-8-22-41(35)49-47-46(45)36-20-6-10-24-44(36)51-47/h3-28H,1-2H3
InChIKeyOPCZLOWMPCJMKQ-UHFFFAOYSA-N
XLogP12.87
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline with MolForge

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Related Compounds

5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;ethane
CID 145017062
11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
CID 138662844
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
12-[3-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;11-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzofuro[3,2-b]quinoline;11-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-b]quinoline
CID 158211636
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
2-[8-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 134516211
12-[3-[3-[5-(3-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 123161041
9-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223723
5-[3-(9,9-dimethyl-5-phenylfluoren-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 138714663
7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole;5,7-diphenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[2,3-b]carbazole
CID 163758955
7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134498087

Frequently Asked Questions

What is the IUPAC name of 11-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 11-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline (CID 138661186) is 11-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 11-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 11-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5cccc(-c6c7ccccc7nc7oc8ccccc8c67)c5)c4)c3cc21.
What is the InChIKey of 11-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline?
The InChIKey is OPCZLOWMPCJMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O/c1-48(2)39-21-7-3-17-33(39)37-27-38-34-18-5-9-23-42(34)50(43(38)28-40(37)48)32-16-12-14-30(26-32)29-13-11-15-31(25-29)45-35-19-4-8-22-41(35)49-47-46(45)36-20-6-10-24-44(36)51-47/h3-28H,1-2H3.
What are the key properties of 11-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline?
11-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline has a molecular weight of 652.80 g/mol, XLogP of 12.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 138661186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).