2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran

C96H60O2 — CID 161333068

IUPAC2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccc3c(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccc(-c7ccccc7)cc56)c5ccccc45)cccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6c(c5)oc5cc(-c7ccccc7)ccc56)c5ccccc45)ccc3c2)cc1
InChIInChI=1S/2C48H30O/c1-3-12-31(13-4-1)33-22-25-37-35(28-33)16-11-21-39(37)48-42-19-9-7-17-40(42)47(41-18-8-10-20-43(41)48)36-23-26-38-44-29-34(32-14-5-2-6-15-32)24-27-45(44)49-46(38)30-36;1-3-11-31(12-4-1)33-19-20-35-28-37(22-21-34(35)27-33)47-41-15-7-9-17-43(41)48(44-18-10-8-16-42(44)47)38-24-26-40-39-25-23-36(32-13-5-2-6-14-32)29-45(39)49-46(40)30-38/h2*1-30H
InChIKeyVLRDJNGEAMGCHH-UHFFFAOYSA-N
MW1245.53 g/mol
LogP27.43
Rot. Bonds8

About 2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran

2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran (PubChem CID 161333068) has the molecular formula C96H60O2 and a molecular weight of 1245.53 g/mol. Its IUPAC name is 2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
PubChem CID161333068
Molecular FormulaC96H60O2
Molecular Weight1245.53 g/mol
Exact Mass1244.46
IUPAC Name2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccc3c(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccc(-c7ccccc7)cc56)c5ccccc45)cccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6c(c5)oc5cc(-c7ccccc7)ccc56)c5ccccc45)ccc3c2)cc1
InChIInChI=1S/2C48H30O/c1-3-12-31(13-4-1)33-22-25-37-35(28-33)16-11-21-39(37)48-42-19-9-7-17-40(42)47(41-18-8-10-20-43(41)48)36-23-26-38-44-29-34(32-14-5-2-6-15-32)24-27-45(44)49-46(38)30-36;1-3-11-31(12-4-1)33-19-20-35-28-37(22-21-34(35)27-33)47-41-15-7-9-17-43(41)48(44-18-10-8-16-42(44)47)38-24-26-40-39-25-23-36(32-13-5-2-6-14-32)29-45(39)49-46(40)30-38/h2*1-30H
InChIKeyVLRDJNGEAMGCHH-UHFFFAOYSA-N
XLogP27.43
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001245.53
LogP ≤ 527.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran with MolForge

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Related Compounds

deuterium monohydride;2-[10-(7-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;2-[10-[7-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 163644950
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenanthren-9-yldibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran
CID 158272088
2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 159962992
6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427142
7-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;7-phenyl-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 164972218
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167561515
2-[10-[3-[6-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]phenyl]anthracen-9-yl]dibenzofuran
CID 172546696
2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58322844
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
3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 158492616
2-(10-naphthalen-1-ylanthracen-9-yl)-4-(4-phenylnaphthalen-2-yl)dibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran
CID 158350567
2-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 161091180

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran (CID 161333068) is 2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran is c1ccc(-c2ccc3c(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccc(-c7ccccc7)cc56)c5ccccc45)cccc3c2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6c(c5)oc5cc(-c7ccccc7)ccc56)c5ccccc45)ccc3c2)cc1.
What is the InChIKey of 2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran?
The InChIKey is VLRDJNGEAMGCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H30O/c1-3-12-31(13-4-1)33-22-25-37-35(28-33)16-11-21-39(37)48-42-19-9-7-17-40(42)47(41-18-8-10-20-43(41)48)36-23-26-38-44-29-34(32-14-5-2-6-15-32)24-27-45(44)49-46(38)30-36;1-3-11-31(12-4-1)33-19-20-35-28-37(22-21-34(35)27-33)47-41-15-7-9-17-43(41)48(44-18-10-8-16-42(44)47)38-24-26-40-39-25-23-36(32-13-5-2-6-14-32)29-45(39)49-46(40)30-38/h2*1-30H.
What are the key properties of 2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran?
2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 1245.53 g/mol, XLogP of 27.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 161333068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).