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

C81H53N3O — CID 123161041

IUPAC12-[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
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10cccc(-c%11ccccc%11)c%10)c9c87)c6)c5)ccc4n(-c4cccc(-c5cccc6c5oc5ccccc56)c4)c3cc21
InChIInChI=1S/C81H53N3O/c1-81(2)71-35-10-6-29-61(71)68-48-70-69-47-55(39-42-75(69)82(76(70)49-72(68)81)57-26-17-25-56(46-57)60-33-18-34-67-64-32-9-13-38-77(64)85-80(60)67)52-22-14-21-51(43-52)54-24-16-28-59(45-54)84-74-37-12-8-31-63(74)66-41-40-65-62-30-7-11-36-73(62)83(78(65)79(66)84)58-27-15-23-53(44-58)50-19-4-3-5-20-50/h3-49H,1-2H3
InChIKeyMZSLHCNAPVXFOF-UHFFFAOYSA-N
MW1084.34 g/mol
LogP21.85
Rot. Bonds7

About 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

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 (PubChem CID 123161041) has the molecular formula C81H53N3O and a molecular weight of 1084.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-[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
PubChem CID123161041
Molecular FormulaC81H53N3O
Molecular Weight1084.34 g/mol
Exact Mass1083.42
IUPAC Name12-[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
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10cccc(-c%11ccccc%11)c%10)c9c87)c6)c5)ccc4n(-c4cccc(-c5cccc6c5oc5ccccc56)c4)c3cc21
InChIInChI=1S/C81H53N3O/c1-81(2)71-35-10-6-29-61(71)68-48-70-69-47-55(39-42-75(69)82(76(70)49-72(68)81)57-26-17-25-56(46-57)60-33-18-34-67-64-32-9-13-38-77(64)85-80(60)67)52-22-14-21-51(43-52)54-24-16-28-59(45-54)84-74-37-12-8-31-63(74)66-41-40-65-62-30-7-11-36-73(62)83(78(65)79(66)84)58-27-15-23-53(44-58)50-19-4-3-5-20-50/h3-49H,1-2H3
InChIKeyMZSLHCNAPVXFOF-UHFFFAOYSA-N
XLogP21.85
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.34
LogP ≤ 521.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;11-phenyl-12-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 160662276
3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-phenyl-4-[6-[4-[2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl]phenyl]dibenzofuran-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 138744026
11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 161096514
5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 134313263
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-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole
CID 159212687
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 161332282
5-[3-dibenzofuran-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534938
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 170277611

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc3c4cc(-c5cccc(-c6cccc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10cccc(-c%11ccccc%11)c%10)c9c87)c6)c5)ccc4n(-c4cccc(-c5cccc6c5oc5ccccc56)c4)c3cc21.
What is the InChIKey of 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?
The InChIKey is MZSLHCNAPVXFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H53N3O/c1-81(2)71-35-10-6-29-61(71)68-48-70-69-47-55(39-42-75(69)82(76(70)49-72(68)81)57-26-17-25-56(46-57)60-33-18-34-67-64-32-9-13-38-77(64)85-80(60)67)52-22-14-21-51(43-52)54-24-16-28-59(45-54)84-74-37-12-8-31-63(74)66-41-40-65-62-30-7-11-36-73(62)83(78(65)79(66)84)58-27-15-23-53(44-58)50-19-4-3-5-20-50/h3-49H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1084.34 g/mol, XLogP of 21.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123161041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).