6-methyl-8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-2-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-5-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-6-phenylnaphtho[1,2-b][1]benzofuran

C163H102O4 — CID 160629605

IUPAC6-methyl-8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-2-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-5-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-6-phenylnaphtho[1,2-b][1]benzofuran
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5c6cc(-c7ccccc7)ccc6ccc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5c6ccccc6c(-c6ccccc6)cc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5c6ccccc6cc(-c6ccccc6)c5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5c6ccccc6cc(C)c5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H]
InChIInChI=1S/3C42H26O.C37H24O/c1-3-13-27(14-4-1)36-26-38-37-25-29(23-24-39(37)43-42(38)35-22-12-7-17-30(35)36)41-33-20-10-8-18-31(33)40(28-15-5-2-6-16-28)32-19-9-11-21-34(32)41;1-3-11-27(12-4-1)30-20-19-28-21-23-36-38-26-31(22-24-39(38)43-42(36)37(28)25-30)41-34-17-9-7-15-32(34)40(29-13-5-2-6-14-29)33-16-8-10-18-35(33)41;1-3-13-27(14-4-1)36-25-29-17-7-8-18-31(29)42-41(36)37-26-30(23-24-38(37)43-42)40-34-21-11-9-19-32(34)39(28-15-5-2-6-16-28)33-20-10-12-22-35(33)40;1-23-21-25-13-5-6-14-27(25)37-34(23)32-22-26(19-20-33(32)38-37)36-30-17-9-7-15-28(30)35(24-11-3-2-4-12-24)29-16-8-10-18-31(29)36/h3*1-26H;2-22H,1H3/i8D,9D,10D,11D,18D,19D,20D,21D;7D,8D,9D,10D,15D,16D,17D,18D;9D,10D,11D,12D,19D,20D,21D,22D;7D,8D,9D,10D,15D,16D,17D,18D
InChIKeyRHTFYUVHXNFIJM-MEHFMABHSA-N
MW2156.80 g/mol
LogP46.83
Rot. Bonds11

About 6-methyl-8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-2-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-5-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-6-phenylnaphtho[1,2-b][1]benzofuran

6-methyl-8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-2-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-5-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-6-phenylnaphtho[1,2-b][1]benzofuran (PubChem CID 160629605) has the molecular formula C163H102O4 and a molecular weight of 2156.80 g/mol. Its IUPAC name is 6-methyl-8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-2-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-5-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-6-phenylnaphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name6-methyl-8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-2-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-5-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-6-phenylnaphtho[1,2-b][1]benzofuran
PubChem CID160629605
Molecular FormulaC163H102O4
Molecular Weight2156.80 g/mol
Exact Mass2154.98
IUPAC Name6-methyl-8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-2-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-5-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-6-phenylnaphtho[1,2-b][1]benzofuran
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5c6cc(-c7ccccc7)ccc6ccc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5c6ccccc6c(-c6ccccc6)cc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5c6ccccc6cc(-c6ccccc6)c5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5c6ccccc6cc(C)c5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H]
InChIInChI=1S/3C42H26O.C37H24O/c1-3-13-27(14-4-1)36-26-38-37-25-29(23-24-39(37)43-42(38)35-22-12-7-17-30(35)36)41-33-20-10-8-18-31(33)40(28-15-5-2-6-16-28)32-19-9-11-21-34(32)41;1-3-11-27(12-4-1)30-20-19-28-21-23-36-38-26-31(22-24-39(38)43-42(36)37(28)25-30)41-34-17-9-7-15-32(34)40(29-13-5-2-6-14-29)33-16-8-10-18-35(33)41;1-3-13-27(14-4-1)36-25-29-17-7-8-18-31(29)42-41(36)37-26-30(23-24-38(37)43-42)40-34-21-11-9-19-32(34)39(28-15-5-2-6-16-28)33-20-10-12-22-35(33)40;1-23-21-25-13-5-6-14-27(25)37-34(23)32-22-26(19-20-33(32)38-37)36-30-17-9-7-15-28(30)35(24-11-3-2-4-12-24)29-16-8-10-18-31(29)36/h3*1-26H;2-22H,1H3/i8D,9D,10D,11D,18D,19D,20D,21D;7D,8D,9D,10D,15D,16D,17D,18D;9D,10D,11D,12D,19D,20D,21D,22D;7D,8D,9D,10D,15D,16D,17D,18D
InChIKeyRHTFYUVHXNFIJM-MEHFMABHSA-N
XLogP46.83
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms167
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002156.80
LogP ≤ 546.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methyl-8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-2-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-5-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-6-phenylnaphtho[1,2-b][1]benzofuran with MolForge

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Related Compounds

8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 153473731
8-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-2-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran
CID 153473773
8-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 153473799
8-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-2-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-9-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;8-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran;8-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran;8-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
CID 160844269
8-(4-benzo[a]anthracen-7-yl-2,3,5,6-tetradeuteriophenyl)-5-phenylnaphtho[1,2-b][1]benzofuran
CID 177071490
8-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 170653484
8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 153473447
7-[4-(10-phenylanthracen-9-yl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene
CID 130190112
8-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 153473930
10-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 153473544
10-[6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran
CID 153473732
9-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 153436430

Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-2-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-5-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-6-phenylnaphtho[1,2-b][1]benzofuran?
The IUPAC name of 6-methyl-8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-2-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-5-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-6-phenylnaphtho[1,2-b][1]benzofuran (CID 160629605) is 6-methyl-8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-2-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-5-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-6-phenylnaphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 6-methyl-8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-2-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-5-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-6-phenylnaphtho[1,2-b][1]benzofuran?
The canonical SMILES for 6-methyl-8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-2-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-5-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-6-phenylnaphtho[1,2-b][1]benzofuran is [2H]c1c([2H])c([2H])c2c(-c3ccc4oc5c6cc(-c7ccccc7)ccc6ccc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5c6ccccc6c(-c6ccccc6)cc5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5c6ccccc6cc(-c6ccccc6)c5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4oc5c6ccccc6cc(C)c5c4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].
What is the InChIKey of 6-methyl-8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-2-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-5-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-6-phenylnaphtho[1,2-b][1]benzofuran?
The InChIKey is RHTFYUVHXNFIJM-MEHFMABHSA-N. The full InChI is InChI=1S/3C42H26O.C37H24O/c1-3-13-27(14-4-1)36-26-38-37-25-29(23-24-39(37)43-42(38)35-22-12-7-17-30(35)36)41-33-20-10-8-18-31(33)40(28-15-5-2-6-16-28)32-19-9-11-21-34(32)41;1-3-11-27(12-4-1)30-20-19-28-21-23-36-38-26-31(22-24-39(38)43-42(36)37(28)25-30)41-34-17-9-7-15-32(34)40(29-13-5-2-6-14-29)33-16-8-10-18-35(33)41;1-3-13-27(14-4-1)36-25-29-17-7-8-18-31(29)42-41(36)37-26-30(23-24-38(37)43-42)40-34-21-11-9-19-32(34)39(28-15-5-2-6-16-28)33-20-10-12-22-35(33)40;1-23-21-25-13-5-6-14-27(25)37-34(23)32-22-26(19-20-33(32)38-37)36-30-17-9-7-15-28(30)35(24-11-3-2-4-12-24)29-16-8-10-18-31(29)36/h3*1-26H;2-22H,1H3/i8D,9D,10D,11D,18D,19D,20D,21D;7D,8D,9D,10D,15D,16D,17D,18D;9D,10D,11D,12D,19D,20D,21D,22D;7D,8D,9D,10D,15D,16D,17D,18D.
What are the key properties of 6-methyl-8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-2-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-5-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-6-phenylnaphtho[1,2-b][1]benzofuran?
6-methyl-8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-2-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-5-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-6-phenylnaphtho[1,2-b][1]benzofuran has a molecular weight of 2156.80 g/mol, XLogP of 46.83, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-2-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-5-phenylnaphtho[1,2-b][1]benzofuran;8-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-6-phenylnaphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 160629605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).