11-[4-(4-tert-butylphenyl)dibenzofuran-2-yl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole

C59H41N5O — CID 168809450

IUPAC11-[4-(4-tert-butylphenyl)dibenzofuran-2-yl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
SMILESCC(C)(C)c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc8ccccc78)n6)c5c43)cc3c2oc2ccccc23)cc1
InChIInChI=1S/C59H41N5O/c1-59(2,3)39-30-28-37(29-31-39)48-34-40(35-49-44-23-11-14-27-52(44)65-55(48)49)63-50-25-12-9-21-42(50)45-32-33-46-43-22-10-13-26-51(43)64(54(46)53(45)63)58-61-56(38-17-5-4-6-18-38)60-57(62-58)47-24-15-19-36-16-7-8-20-41(36)47/h4-35H,1-3H3
InChIKeyROPORZPKVBYSRW-UHFFFAOYSA-N
MW836.01 g/mol
LogP15.42
Rot. Bonds5

About 11-[4-(4-tert-butylphenyl)dibenzofuran-2-yl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole

11-[4-(4-tert-butylphenyl)dibenzofuran-2-yl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole (PubChem CID 168809450) has the molecular formula C59H41N5O and a molecular weight of 836.01 g/mol. Its IUPAC name is 11-[4-(4-tert-butylphenyl)dibenzofuran-2-yl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-[4-(4-tert-butylphenyl)dibenzofuran-2-yl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
PubChem CID168809450
Molecular FormulaC59H41N5O
Molecular Weight836.01 g/mol
Exact Mass835.33
IUPAC Name11-[4-(4-tert-butylphenyl)dibenzofuran-2-yl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
SMILESCC(C)(C)c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc8ccccc78)n6)c5c43)cc3c2oc2ccccc23)cc1
InChIInChI=1S/C59H41N5O/c1-59(2,3)39-30-28-37(29-31-39)48-34-40(35-49-44-23-11-14-27-52(44)65-55(48)49)63-50-25-12-9-21-42(50)45-32-33-46-43-22-10-13-26-51(43)64(54(46)53(45)63)58-61-56(38-17-5-4-6-18-38)60-57(62-58)47-24-15-19-36-16-7-8-20-41(36)47/h4-35H,1-3H3
InChIKeyROPORZPKVBYSRW-UHFFFAOYSA-N
XLogP15.42
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.01
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-[4-(4-tert-butylphenyl)dibenzofuran-2-yl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole with MolForge

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Related Compounds

12-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole
CID 168809550
11-(4-naphthalen-2-yldibenzofuran-2-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168809436
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,4-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165583
5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166698980
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyldibenzofuran-2-yl)indolo[3,2-c]carbazole
CID 168809412
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165462
11-phenyl-12-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 156557722
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole
CID 168809458
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165478
7-(4-phenyldibenzofuran-2-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 168809556
11-(4-phenylphenyl)-12-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758335
9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole
CID 166495859

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4-tert-butylphenyl)dibenzofuran-2-yl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole?
The IUPAC name of 11-[4-(4-tert-butylphenyl)dibenzofuran-2-yl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole (CID 168809450) is 11-[4-(4-tert-butylphenyl)dibenzofuran-2-yl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole.
What is the SMILES notation for 11-[4-(4-tert-butylphenyl)dibenzofuran-2-yl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole?
The canonical SMILES for 11-[4-(4-tert-butylphenyl)dibenzofuran-2-yl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole is CC(C)(C)c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc8ccccc78)n6)c5c43)cc3c2oc2ccccc23)cc1.
What is the InChIKey of 11-[4-(4-tert-butylphenyl)dibenzofuran-2-yl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole?
The InChIKey is ROPORZPKVBYSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N5O/c1-59(2,3)39-30-28-37(29-31-39)48-34-40(35-49-44-23-11-14-27-52(44)65-55(48)49)63-50-25-12-9-21-42(50)45-32-33-46-43-22-10-13-26-51(43)64(54(46)53(45)63)58-61-56(38-17-5-4-6-18-38)60-57(62-58)47-24-15-19-36-16-7-8-20-41(36)47/h4-35H,1-3H3.
What are the key properties of 11-[4-(4-tert-butylphenyl)dibenzofuran-2-yl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole?
11-[4-(4-tert-butylphenyl)dibenzofuran-2-yl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole has a molecular weight of 836.01 g/mol, XLogP of 15.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(4-tert-butylphenyl)dibenzofuran-2-yl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 168809450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).