9-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]carbazole;3-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]-9-phenylcarbazole

C198H118N2O6 — CID 161064715

IUPAC9-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]carbazole;3-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]-9-phenylcarbazole
SMILESc1cc(-c2c3ccccc3c(-c3ccc4c(c3)oc3c5ccccc5ccc43)c3ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2c3ccccc3c(-c3ccc4c(c3)oc3c5ccccc5ccc43)c3ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccc4c(c3)oc3c5ccccc5ccc43)c3ccccc23)c1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5c6ccccc6c(-c6ccc7c(c6)oc6c8ccccc8ccc76)c6ccccc56)c4)ccc32)cc1
InChIInChI=1S/C54H33NO.C48H29NO.2C48H28O2/c1-2-16-39(17-3-1)55-49-24-11-10-19-41(49)48-32-36(27-30-50(48)55)35-14-12-15-37(31-35)52-43-20-6-8-22-45(43)53(46-23-9-7-21-44(46)52)38-26-28-42-47-29-25-34-13-4-5-18-40(34)54(47)56-51(42)33-38;1-2-15-34-30(12-1)24-27-42-37-26-25-32(29-45(37)50-48(34)42)47-40-20-5-3-18-38(40)46(39-19-4-6-21-41(39)47)31-13-11-14-33(28-31)49-43-22-9-7-16-35(43)36-17-8-10-23-44(36)49;1-2-14-33-29(11-1)23-26-42-36-25-24-32(28-44(36)50-47(33)42)46-39-18-5-3-16-37(39)45(38-17-4-6-19-40(38)46)31-13-9-12-30(27-31)34-20-10-21-41-35-15-7-8-22-43(35)49-48(34)41;1-2-13-34-29(10-1)20-24-41-36-23-21-33(28-45(36)50-48(34)41)47-39-17-5-3-15-37(39)46(38-16-4-6-18-40(38)47)32-12-9-11-30(26-32)31-22-25-44-42(27-31)35-14-7-8-19-43(35)49-44/h1-33H;1-29H;2*1-28H
InChIKeyUDWCNSPXDUPXKQ-UHFFFAOYSA-N
MW2621.13 g/mol
LogP56.51
Rot. Bonds13

About 9-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]carbazole;3-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]-9-phenylcarbazole

9-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]carbazole;3-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]-9-phenylcarbazole (PubChem CID 161064715) has the molecular formula C198H118N2O6 and a molecular weight of 2621.13 g/mol. Its IUPAC name is 9-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]carbazole;3-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name9-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]carbazole;3-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]-9-phenylcarbazole
PubChem CID161064715
Molecular FormulaC198H118N2O6
Molecular Weight2621.13 g/mol
Exact Mass2618.90
IUPAC Name9-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]carbazole;3-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]-9-phenylcarbazole
SMILESc1cc(-c2c3ccccc3c(-c3ccc4c(c3)oc3c5ccccc5ccc43)c3ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2c3ccccc3c(-c3ccc4c(c3)oc3c5ccccc5ccc43)c3ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccc4c(c3)oc3c5ccccc5ccc43)c3ccccc23)c1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5c6ccccc6c(-c6ccc7c(c6)oc6c8ccccc8ccc76)c6ccccc56)c4)ccc32)cc1
InChIInChI=1S/C54H33NO.C48H29NO.2C48H28O2/c1-2-16-39(17-3-1)55-49-24-11-10-19-41(49)48-32-36(27-30-50(48)55)35-14-12-15-37(31-35)52-43-20-6-8-22-45(43)53(46-23-9-7-21-44(46)52)38-26-28-42-47-29-25-34-13-4-5-18-40(34)54(47)56-51(42)33-38;1-2-15-34-30(12-1)24-27-42-37-26-25-32(29-45(37)50-48(34)42)47-40-20-5-3-18-38(40)46(39-19-4-6-21-41(39)47)31-13-11-14-33(28-31)49-43-22-9-7-16-35(43)36-17-8-10-23-44(36)49;1-2-14-33-29(11-1)23-26-42-36-25-24-32(28-44(36)50-47(33)42)46-39-18-5-3-16-37(39)45(38-17-4-6-19-40(38)46)31-13-9-12-30(27-31)34-20-10-21-41-35-15-7-8-22-43(35)49-48(34)41;1-2-13-34-29(10-1)20-24-41-36-23-21-33(28-45(36)50-48(34)41)47-39-17-5-3-15-37(39)46(38-16-4-6-18-40(38)47)32-12-9-11-30(26-32)31-22-25-44-42(27-31)35-14-7-8-19-43(35)49-44/h1-33H;1-29H;2*1-28H
InChIKeyUDWCNSPXDUPXKQ-UHFFFAOYSA-N
XLogP56.51
TPSA88.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms206
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002621.13
LogP ≤ 556.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]carbazole;3-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]-9-phenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]carbazole;3-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 9-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]carbazole;3-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]-9-phenylcarbazole (CID 161064715) is 9-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]carbazole;3-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 9-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]carbazole;3-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 9-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]carbazole;3-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]-9-phenylcarbazole is c1cc(-c2c3ccccc3c(-c3ccc4c(c3)oc3c5ccccc5ccc43)c3ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2c3ccccc3c(-c3ccc4c(c3)oc3c5ccccc5ccc43)c3ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2c3ccccc3c(-c3ccc4c(c3)oc3c5ccccc5ccc43)c3ccccc23)c1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5c6ccccc6c(-c6ccc7c(c6)oc6c8ccccc8ccc76)c6ccccc56)c4)ccc32)cc1.
What is the InChIKey of 9-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]carbazole;3-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]-9-phenylcarbazole?
The InChIKey is UDWCNSPXDUPXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO.C48H29NO.2C48H28O2/c1-2-16-39(17-3-1)55-49-24-11-10-19-41(49)48-32-36(27-30-50(48)55)35-14-12-15-37(31-35)52-43-20-6-8-22-45(43)53(46-23-9-7-21-44(46)52)38-26-28-42-47-29-25-34-13-4-5-18-40(34)54(47)56-51(42)33-38;1-2-15-34-30(12-1)24-27-42-37-26-25-32(29-45(37)50-48(34)42)47-40-20-5-3-18-38(40)46(39-19-4-6-21-41(39)47)31-13-11-14-33(28-31)49-43-22-9-7-16-35(43)36-17-8-10-23-44(36)49;1-2-14-33-29(11-1)23-26-42-36-25-24-32(28-44(36)50-47(33)42)46-39-18-5-3-16-37(39)45(38-17-4-6-19-40(38)46)31-13-9-12-30(27-31)34-20-10-21-41-35-15-7-8-22-43(35)49-48(34)41;1-2-13-34-29(10-1)20-24-41-36-23-21-33(28-45(36)50-48(34)41)47-39-17-5-3-15-37(39)46(38-16-4-6-18-40(38)47)32-12-9-11-30(26-32)31-22-25-44-42(27-31)35-14-7-8-19-43(35)49-44/h1-33H;1-29H;2*1-28H.
What are the key properties of 9-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]carbazole;3-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]-9-phenylcarbazole?
9-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]carbazole;3-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]-9-phenylcarbazole has a molecular weight of 2621.13 g/mol, XLogP of 56.51, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;9-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]carbazole;3-[3-(10-naphtho[1,2-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 161064715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).