8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole;1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-8-phenyldibenzofuran

C160H97NO4 — CID 167664903

IUPAC8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole;1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-8-phenyldibenzofuran
SMILES[2H]c1c([2H])c([2H])c2c(-c3cc(-c4cccc5oc6ccc(-c7cccc8c7oc7ccccc78)cc6c45)c4ccccc4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cc(-c4cccc5oc6ccc(-c7ccccc7)cc6c45)c4ccccc4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cc(-c4cccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c45)c4ccccc4c3)c2c1[2H]
InChIInChI=1S/C58H35NO.C54H32O2.C48H30O/c1-3-18-40-36(15-1)17-13-26-44(40)57-47-24-7-5-22-45(47)56(46-23-6-8-25-48(46)57)38-33-37-16-2-4-19-41(37)50(34-38)49-27-14-30-55-58(49)51-35-39(31-32-54(51)60-55)59-52-28-11-9-20-42(52)43-21-10-12-29-53(43)59;1-2-14-33(15-3-1)51-40-19-6-8-21-42(40)52(43-22-9-7-20-41(43)51)36-30-34-16-4-5-17-37(34)46(32-36)44-24-13-27-50-53(44)47-31-35(28-29-49(47)55-50)38-23-12-25-45-39-18-10-11-26-48(39)56-54(38)45;1-3-14-31(15-4-1)33-26-27-44-43(29-33)48-41(24-13-25-45(48)49-44)42-30-35(28-34-18-7-8-19-36(34)42)47-39-22-11-9-20-37(39)46(32-16-5-2-6-17-32)38-21-10-12-23-40(38)47/h1-35H;1-32H;1-30H/i5D,6D,7D,8D,22D,23D,24D,25D;6D,7D,8D,9D,19D,20D,21D,22D;9D,10D,11D,12D,20D,21D,22D,23D
InChIKeySMHFIJJWDHLECX-ALHDIJDESA-N
MW2121.69 g/mol
LogP45.62
Rot. Bonds12

About 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole;1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-8-phenyldibenzofuran

8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole;1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-8-phenyldibenzofuran (PubChem CID 167664903) has the molecular formula C160H97NO4 and a molecular weight of 2121.69 g/mol. Its IUPAC name is 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole;1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-8-phenyldibenzofuran.

Molecular Properties

Compound Name8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole;1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-8-phenyldibenzofuran
PubChem CID167664903
Molecular FormulaC160H97NO4
Molecular Weight2121.69 g/mol
Exact Mass2119.89
IUPAC Name8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole;1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-8-phenyldibenzofuran
SMILES[2H]c1c([2H])c([2H])c2c(-c3cc(-c4cccc5oc6ccc(-c7cccc8c7oc7ccccc78)cc6c45)c4ccccc4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cc(-c4cccc5oc6ccc(-c7ccccc7)cc6c45)c4ccccc4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cc(-c4cccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c45)c4ccccc4c3)c2c1[2H]
InChIInChI=1S/C58H35NO.C54H32O2.C48H30O/c1-3-18-40-36(15-1)17-13-26-44(40)57-47-24-7-5-22-45(47)56(46-23-6-8-25-48(46)57)38-33-37-16-2-4-19-41(37)50(34-38)49-27-14-30-55-58(49)51-35-39(31-32-54(51)60-55)59-52-28-11-9-20-42(52)43-21-10-12-29-53(43)59;1-2-14-33(15-3-1)51-40-19-6-8-21-42(40)52(43-22-9-7-20-41(43)51)36-30-34-16-4-5-17-37(34)46(32-36)44-24-13-27-50-53(44)47-31-35(28-29-49(47)55-50)38-23-12-25-45-39-18-10-11-26-48(39)56-54(38)45;1-3-14-31(15-4-1)33-26-27-44-43(29-33)48-41(24-13-25-45(48)49-44)42-30-35(28-34-18-7-8-19-36(34)42)47-39-22-11-9-20-37(39)46(32-16-5-2-6-17-32)38-21-10-12-23-40(38)47/h1-35H;1-32H;1-30H/i5D,6D,7D,8D,22D,23D,24D,25D;6D,7D,8D,9D,19D,20D,21D,22D;9D,10D,11D,12D,20D,21D,22D,23D
InChIKeySMHFIJJWDHLECX-ALHDIJDESA-N
XLogP45.62
TPSA57.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002121.69
LogP ≤ 545.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole;1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-8-phenyldibenzofuran with MolForge

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Related Compounds

8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole
CID 167686759
9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole;4-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;10-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran
CID 167602660
7,7-dimethyl-4-(10-phenylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran;9-[9-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-6-phenyldibenzofuran-2-yl]carbazole;6-[4-(10-phenylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 167561055
3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole
CID 87156900
9-[2-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-4-yl]carbazole
CID 165169914
1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 158377616
3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87153723
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole
CID 168769949
2-(10-dibenzofuran-4-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-9-phenylcarbazole;9-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]carbazole;9-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]carbazole
CID 159826191
9-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;3-[3-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylcarbazole;4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;4-(10-phenylanthracen-9-yl)dibenzofuran;4-(10-pyren-1-ylanthracen-9-yl)dibenzofuran
CID 158398457
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981

Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole;1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-8-phenyldibenzofuran?
The IUPAC name of 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole;1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-8-phenyldibenzofuran (CID 167664903) is 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole;1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-8-phenyldibenzofuran.
What is the SMILES notation for 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole;1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-8-phenyldibenzofuran?
The canonical SMILES for 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole;1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-8-phenyldibenzofuran is [2H]c1c([2H])c([2H])c2c(-c3cc(-c4cccc5oc6ccc(-c7cccc8c7oc7ccccc78)cc6c45)c4ccccc4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cc(-c4cccc5oc6ccc(-c7ccccc7)cc6c45)c4ccccc4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3cc(-c4cccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c45)c4ccccc4c3)c2c1[2H].
What is the InChIKey of 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole;1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-8-phenyldibenzofuran?
The InChIKey is SMHFIJJWDHLECX-ALHDIJDESA-N. The full InChI is InChI=1S/C58H35NO.C54H32O2.C48H30O/c1-3-18-40-36(15-1)17-13-26-44(40)57-47-24-7-5-22-45(47)56(46-23-6-8-25-48(46)57)38-33-37-16-2-4-19-41(37)50(34-38)49-27-14-30-55-58(49)51-35-39(31-32-54(51)60-55)59-52-28-11-9-20-42(52)43-21-10-12-29-53(43)59;1-2-14-33(15-3-1)51-40-19-6-8-21-42(40)52(43-22-9-7-20-41(43)51)36-30-34-16-4-5-17-37(34)46(32-36)44-24-13-27-50-53(44)47-31-35(28-29-49(47)55-50)38-23-12-25-45-39-18-10-11-26-48(39)56-54(38)45;1-3-14-31(15-4-1)33-26-27-44-43(29-33)48-41(24-13-25-45(48)49-44)42-30-35(28-34-18-7-8-19-36(34)42)47-39-22-11-9-20-37(39)46(32-16-5-2-6-17-32)38-21-10-12-23-40(38)47/h1-35H;1-32H;1-30H/i5D,6D,7D,8D,22D,23D,24D,25D;6D,7D,8D,9D,19D,20D,21D,22D;9D,10D,11D,12D,20D,21D,22D,23D.
What are the key properties of 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole;1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-8-phenyldibenzofuran?
8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole;1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-8-phenyldibenzofuran has a molecular weight of 2121.69 g/mol, XLogP of 45.62, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzofuran-4-yl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-[9-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran-2-yl]carbazole;1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-1-yl]-8-phenyldibenzofuran is sourced from PubChem (CID 167664903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).