1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran

C138H84O3 — CID 158243132

IUPAC1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4oc5cc(-c6cc7ccccc7c7ccccc67)ccc5c34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4oc5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5c34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4oc5cccc(-c6ccc7c(ccc8ccccc87)c6)c5c34)c3ccccc23)cc1
InChIInChI=1S/3C46H28O/c1-2-13-30(14-3-1)43-36-16-6-8-18-38(36)44(39-19-9-7-17-37(39)43)40-21-11-23-42-46(40)45-35(20-10-22-41(45)47-42)32-26-27-34-31(28-32)25-24-29-12-4-5-15-33(29)34;1-2-12-30(13-3-1)44-36-15-6-8-17-38(36)45(39-18-9-7-16-37(39)44)40-19-10-20-43-46(40)41-28-32(24-26-42(41)47-43)31-23-25-35-33(27-31)22-21-29-11-4-5-14-34(29)35;1-2-13-29(14-3-1)44-35-19-8-10-21-37(35)45(38-22-11-9-20-36(38)44)40-23-12-24-42-46(40)39-26-25-31(28-43(39)47-42)41-27-30-15-4-5-16-32(30)33-17-6-7-18-34(33)41/h3*1-28H
InChIKeyGFUITZRCXPJALH-UHFFFAOYSA-N
MW1790.19 g/mol
LogP39.60
Rot. Bonds9

About 1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran

1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran (PubChem CID 158243132) has the molecular formula C138H84O3 and a molecular weight of 1790.19 g/mol. Its IUPAC name is 1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
PubChem CID158243132
Molecular FormulaC138H84O3
Molecular Weight1790.19 g/mol
Exact Mass1788.64
IUPAC Name1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4oc5cc(-c6cc7ccccc7c7ccccc67)ccc5c34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4oc5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5c34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4oc5cccc(-c6ccc7c(ccc8ccccc87)c6)c5c34)c3ccccc23)cc1
InChIInChI=1S/3C46H28O/c1-2-13-30(14-3-1)43-36-16-6-8-18-38(36)44(39-19-9-7-17-37(39)43)40-21-11-23-42-46(40)45-35(20-10-22-41(45)47-42)32-26-27-34-31(28-32)25-24-29-12-4-5-15-33(29)34;1-2-12-30(13-3-1)44-36-15-6-8-17-38(36)45(39-18-9-7-16-37(39)44)40-19-10-20-43-46(40)41-28-32(24-26-42(41)47-43)31-23-25-35-33(27-31)22-21-29-11-4-5-14-34(29)35;1-2-13-29(14-3-1)44-35-19-8-10-21-37(35)45(38-22-11-9-20-36(38)44)40-23-12-24-42-46(40)39-26-25-31(28-43(39)47-42)41-27-30-15-4-5-16-32(30)33-17-6-7-18-34(33)41/h3*1-28H
InChIKeyGFUITZRCXPJALH-UHFFFAOYSA-N
XLogP39.60
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001790.19
LogP ≤ 539.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-9-phenanthren-2-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-7-phenanthren-9-yldibenzofuran;2-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-8-phenanthren-9-yldibenzofuran
CID 167564133
9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;2-[10-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-(4-phenylphenyl)anthracene;1-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 165001898
7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran
CID 170249935
1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174167556
8-[9-[10-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)anthracen-9-yl]phenanthren-3-yl]-1-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 167077211
1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran
CID 139396293
1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448220
3-[9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]chrysen-4-yl]dibenzofuran
CID 174177940
deuterium monohydride;1-[10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;1-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 163894807
1-(3,5-diphenylphenyl)-9-(10-phenylanthracen-9-yl)dibenzofuran;7-(2,5-diphenylphenyl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;1-(10-phenylanthracen-9-yl)-8-[4-(4-phenylphenyl)phenyl]dibenzofuran
CID 158423498
2-(10-naphthalen-1-ylanthracen-9-yl)-6,7-diphenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-8-(3-phenylphenyl)dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)-7-(2-phenylphenyl)dibenzofuran;1-phenyl-8-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 158780086
1-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;3-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 159387963

Frequently Asked Questions

What is the IUPAC name of 1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran?
The IUPAC name of 1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran (CID 158243132) is 1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran is c1ccc(-c2c3ccccc3c(-c3cccc4oc5cc(-c6cc7ccccc7c7ccccc67)ccc5c34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4oc5ccc(-c6ccc7c(ccc8ccccc87)c6)cc5c34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4oc5cccc(-c6ccc7c(ccc8ccccc87)c6)c5c34)c3ccccc23)cc1.
What is the InChIKey of 1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran?
The InChIKey is GFUITZRCXPJALH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C46H28O/c1-2-13-30(14-3-1)43-36-16-6-8-18-38(36)44(39-19-9-7-17-37(39)43)40-21-11-23-42-46(40)45-35(20-10-22-41(45)47-42)32-26-27-34-31(28-32)25-24-29-12-4-5-15-33(29)34;1-2-12-30(13-3-1)44-36-15-6-8-17-38(36)45(39-18-9-7-16-37(39)44)40-19-10-20-43-46(40)41-28-32(24-26-42(41)47-43)31-23-25-35-33(27-31)22-21-29-11-4-5-14-34(29)35;1-2-13-29(14-3-1)44-35-19-8-10-21-37(35)45(38-22-11-9-20-36(38)44)40-23-12-24-42-46(40)39-26-25-31(28-43(39)47-42)41-27-30-15-4-5-16-32(30)33-17-6-7-18-34(33)41/h3*1-28H.
What are the key properties of 1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran?
1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran has a molecular weight of 1790.19 g/mol, XLogP of 39.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 158243132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).