9-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran

C59H40O — CID 59136995

IUPAC9-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran
SMILESc1ccc(-c2cccc(-c3ccc(C(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)cc4)cc3)c2)cc1
InChIInChI=1S/C59H40O/c1-3-11-40(12-4-1)49-16-9-18-51(37-49)42-21-27-46(28-22-42)58(47-29-23-43(24-30-47)52-19-10-17-50(38-52)41-13-5-2-6-14-41)48-31-25-44(26-32-48)53-33-35-55-57(39-53)60-56-36-34-45-15-7-8-20-54(45)59(55)56/h1-39,58H
InChIKeyUDKYBQORZAWBCU-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.25
Rot. Bonds8

About 9-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran

9-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran (PubChem CID 59136995) has the molecular formula C59H40O and a molecular weight of 764.97 g/mol. Its IUPAC name is 9-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name9-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran
PubChem CID59136995
Molecular FormulaC59H40O
Molecular Weight764.97 g/mol
Exact Mass764.31
IUPAC Name9-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran
SMILESc1ccc(-c2cccc(-c3ccc(C(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)cc4)cc3)c2)cc1
InChIInChI=1S/C59H40O/c1-3-11-40(12-4-1)49-16-9-18-51(37-49)42-21-27-46(28-22-42)58(47-29-23-43(24-30-47)52-19-10-17-50(38-52)41-13-5-2-6-14-41)48-31-25-44(26-32-48)53-33-35-55-57(39-53)60-56-36-34-45-15-7-8-20-54(45)59(55)56/h1-39,58H
InChIKeyUDKYBQORZAWBCU-UHFFFAOYSA-N
XLogP16.25
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 516.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran
CID 59137038
3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136900
2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 90049914
3-[4-[(4-dibenzofuran-3-ylphenyl)-(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]dibenzofuran;3-[4-[(4-dibenzofuran-3-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;3-[4-[(4-dibenzofuran-3-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;9-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran;9-[4-[(4-naphtho[1,2-b][1]benzofuran-9-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]naphtho[1,2-b][1]benzofuran;9-[4-[(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran
CID 157305645
9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran
CID 123472121
2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 137465836
21-(6-phenylnaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene
CID 149209334
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176616745
9-[10-(2,3,5,6-tetradeuterio-4-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 170653690
10-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59136719
10-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran
CID 59136925
N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170140386

Frequently Asked Questions

What is the IUPAC name of 9-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran?
The IUPAC name of 9-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran (CID 59136995) is 9-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 9-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 9-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran is c1ccc(-c2cccc(-c3ccc(C(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)cc4)cc3)c2)cc1.
What is the InChIKey of 9-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran?
The InChIKey is UDKYBQORZAWBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40O/c1-3-11-40(12-4-1)49-16-9-18-51(37-49)42-21-27-46(28-22-42)58(47-29-23-43(24-30-47)52-19-10-17-50(38-52)41-13-5-2-6-14-41)48-31-25-44(26-32-48)53-33-35-55-57(39-53)60-56-36-34-45-15-7-8-20-54(45)59(55)56/h1-39,58H.
What are the key properties of 9-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran?
9-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran has a molecular weight of 764.97 g/mol, XLogP of 16.25, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 59136995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).