1-[4-[(3-naphthalen-2-yl-2-phenanthren-9-ylphenyl)-(4-phenylphenyl)methyl]phenyl]dibenzofuran

C61H40O — CID 177274790

IUPAC1-[4-[(3-naphthalen-2-yl-2-phenanthren-9-ylphenyl)-(4-phenylphenyl)methyl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccc(C(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cccc(-c4ccc5ccccc5c4)c3-c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C61H40O/c1-2-14-40(15-3-1)42-28-33-44(34-29-42)59(45-35-31-43(32-36-45)50-24-13-27-58-61(50)54-22-10-11-26-57(54)62-58)55-25-12-23-51(48-37-30-41-16-4-5-17-46(41)38-48)60(55)56-39-47-18-6-7-19-49(47)52-20-8-9-21-53(52)56/h1-39,59H
InChIKeyGGBCYTJUFFRDLZ-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.89
Rot. Bonds7

About 1-[4-[(3-naphthalen-2-yl-2-phenanthren-9-ylphenyl)-(4-phenylphenyl)methyl]phenyl]dibenzofuran

1-[4-[(3-naphthalen-2-yl-2-phenanthren-9-ylphenyl)-(4-phenylphenyl)methyl]phenyl]dibenzofuran (PubChem CID 177274790) has the molecular formula C61H40O and a molecular weight of 788.99 g/mol. Its IUPAC name is 1-[4-[(3-naphthalen-2-yl-2-phenanthren-9-ylphenyl)-(4-phenylphenyl)methyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name1-[4-[(3-naphthalen-2-yl-2-phenanthren-9-ylphenyl)-(4-phenylphenyl)methyl]phenyl]dibenzofuran
PubChem CID177274790
Molecular FormulaC61H40O
Molecular Weight788.99 g/mol
Exact Mass788.31
IUPAC Name1-[4-[(3-naphthalen-2-yl-2-phenanthren-9-ylphenyl)-(4-phenylphenyl)methyl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccc(C(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cccc(-c4ccc5ccccc5c4)c3-c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C61H40O/c1-2-14-40(15-3-1)42-28-33-44(34-29-42)59(45-35-31-43(32-36-45)50-24-13-27-58-61(50)54-22-10-11-26-57(54)62-58)55-25-12-23-51(48-37-30-41-16-4-5-17-46(41)38-48)60(55)56-39-47-18-6-7-19-49(47)52-20-8-9-21-53(52)56/h1-39,59H
InChIKeyGGBCYTJUFFRDLZ-UHFFFAOYSA-N
XLogP16.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 118563907
1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-9-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]dibenzofuran;1-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 159453028
1-[3-[naphthalen-1-yl-(4-naphthalen-2-ylphenyl)methyl]phenyl]-4-(3-phenylphenyl)dibenzofuran
CID 135295808
2-(6-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine
CID 166743635
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566303
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenylaniline
CID 166565631
3-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[3-(10-phenylphenanthren-9-yl)phenyl]aniline
CID 170535413
4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59136825
2-dibenzofuran-1-yl-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 169053906
2-naphthalen-2-yl-4-(1-phenanthren-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 176616811
11-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)naphtho[2,3-b][1]benzofuran
CID 176777646

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-naphthalen-2-yl-2-phenanthren-9-ylphenyl)-(4-phenylphenyl)methyl]phenyl]dibenzofuran?
The IUPAC name of 1-[4-[(3-naphthalen-2-yl-2-phenanthren-9-ylphenyl)-(4-phenylphenyl)methyl]phenyl]dibenzofuran (CID 177274790) is 1-[4-[(3-naphthalen-2-yl-2-phenanthren-9-ylphenyl)-(4-phenylphenyl)methyl]phenyl]dibenzofuran.
What is the SMILES notation for 1-[4-[(3-naphthalen-2-yl-2-phenanthren-9-ylphenyl)-(4-phenylphenyl)methyl]phenyl]dibenzofuran?
The canonical SMILES for 1-[4-[(3-naphthalen-2-yl-2-phenanthren-9-ylphenyl)-(4-phenylphenyl)methyl]phenyl]dibenzofuran is c1ccc(-c2ccc(C(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cccc(-c4ccc5ccccc5c4)c3-c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of 1-[4-[(3-naphthalen-2-yl-2-phenanthren-9-ylphenyl)-(4-phenylphenyl)methyl]phenyl]dibenzofuran?
The InChIKey is GGBCYTJUFFRDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40O/c1-2-14-40(15-3-1)42-28-33-44(34-29-42)59(45-35-31-43(32-36-45)50-24-13-27-58-61(50)54-22-10-11-26-57(54)62-58)55-25-12-23-51(48-37-30-41-16-4-5-17-46(41)38-48)60(55)56-39-47-18-6-7-19-49(47)52-20-8-9-21-53(52)56/h1-39,59H.
What are the key properties of 1-[4-[(3-naphthalen-2-yl-2-phenanthren-9-ylphenyl)-(4-phenylphenyl)methyl]phenyl]dibenzofuran?
1-[4-[(3-naphthalen-2-yl-2-phenanthren-9-ylphenyl)-(4-phenylphenyl)methyl]phenyl]dibenzofuran has a molecular weight of 788.99 g/mol, XLogP of 16.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-naphthalen-2-yl-2-phenanthren-9-ylphenyl)-(4-phenylphenyl)methyl]phenyl]dibenzofuran is sourced from PubChem (CID 177274790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).