12-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole

C46H28N2O — CID 167030125

IUPAC12-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6cccc7oc8cc9ccccc9cc8c67)cc5)c4c32)cc1
InChIInChI=1S/C46H28N2O/c1-2-13-32(14-3-1)47-40-18-8-6-15-35(40)37-25-26-38-36-16-7-9-19-41(36)48(46(38)45(37)47)33-23-21-29(22-24-33)34-17-10-20-42-44(34)39-27-30-11-4-5-12-31(30)28-43(39)49-42/h1-28H
InChIKeyHSEUPERIFISPBN-UHFFFAOYSA-N
MW624.74 g/mol
LogP12.60
Rot. Bonds3

About 12-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole

12-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole (PubChem CID 167030125) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 12-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole
PubChem CID167030125
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC Name12-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6cccc7oc8cc9ccccc9cc8c67)cc5)c4c32)cc1
InChIInChI=1S/C46H28N2O/c1-2-13-32(14-3-1)47-40-18-8-6-15-35(40)37-25-26-38-36-16-7-9-19-41(36)48(46(38)45(37)47)33-23-21-29(22-24-33)34-17-10-20-42-44(34)39-27-30-11-4-5-12-31(30)28-43(39)49-42/h1-28H
InChIKeyHSEUPERIFISPBN-UHFFFAOYSA-N
XLogP12.60
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-(4-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758383
2-(4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 161127098
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-1-phenylcarbazole
CID 163433245
1-dibenzofuran-3-yl-9-phenylcarbazole
CID 137466533
3-dibenzofuran-1-yl-12-phenyl-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 168727712
9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-phenylcarbazole
CID 163676020
9-phenyl-1-[2-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
CID 170192348
11-(3-phenylphenyl)-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164758341
12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785
1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163904282
12-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 130231332
2-[6-[9-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)dibenzofuran-2-yl]-9-phenylcarbazol-2-yl]-11,12-diphenyl-8-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]indolo[2,3-a]carbazole
CID 167077856

Frequently Asked Questions

What is the IUPAC name of 12-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole (CID 167030125) is 12-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6cccc7oc8cc9ccccc9cc8c67)cc5)c4c32)cc1.
What is the InChIKey of 12-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole?
The InChIKey is HSEUPERIFISPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-2-13-32(14-3-1)47-40-18-8-6-15-35(40)37-25-26-38-36-16-7-9-19-41(36)48(46(38)45(37)47)33-23-21-29(22-24-33)34-17-10-20-42-44(34)39-27-30-11-4-5-12-31(30)28-43(39)49-42/h1-28H.
What are the key properties of 12-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole?
12-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole has a molecular weight of 624.74 g/mol, XLogP of 12.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 167030125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).