11-(3,5-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

C56H37NO — CID 170675458

IUPAC11-(3,5-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4c(c3)oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C56H37NO/c1-4-14-38(15-5-1)42-24-28-48(29-25-42)57(49-30-26-41-20-10-11-22-44(41)35-49)50-36-52(56-54(37-50)58-53-31-27-43-21-12-13-23-51(43)55(53)56)47-33-45(39-16-6-2-7-17-39)32-46(34-47)40-18-8-3-9-19-40/h1-37H
InChIKeyPMSBDKBWODYQRG-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About 11-(3,5-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

11-(3,5-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 170675458) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is 11-(3,5-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound Name11-(3,5-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID170675458
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC Name11-(3,5-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4c(c3)oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C56H37NO/c1-4-14-38(15-5-1)42-24-28-48(29-25-42)57(49-30-26-41-20-10-11-22-44(41)35-49)50-36-52(56-54(37-50)58-53-31-27-43-21-12-13-23-51(43)55(53)56)47-33-45(39-16-6-2-7-17-39)32-46(34-47)40-18-8-3-9-19-40/h1-37H
InChIKeyPMSBDKBWODYQRG-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170675685
N-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176796141
N-(4-dibenzofuran-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170674929
9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
CID 166856411
N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170674899
3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 177117023
N-[4-[11-(5,6-diphenyl-1,2,4-triazin-3-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 167424318
N-[4-(9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-11-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 138651156
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775174
N-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795749
N-phenyl-11-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
CID 176795809
N-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline
CID 156554104

Frequently Asked Questions

What is the IUPAC name of 11-(3,5-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of 11-(3,5-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 170675458) is 11-(3,5-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for 11-(3,5-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for 11-(3,5-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4c(c3)oc3ccc5ccccc5c34)cc2)cc1.
What is the InChIKey of 11-(3,5-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is PMSBDKBWODYQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-4-14-38(15-5-1)42-24-28-48(29-25-42)57(49-30-26-41-20-10-11-22-44(41)35-49)50-36-52(56-54(37-50)58-53-31-27-43-21-12-13-23-51(43)55(53)56)47-33-45(39-16-6-2-7-17-39)32-46(34-47)40-18-8-3-9-19-40/h1-37H.
What are the key properties of 11-(3,5-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
11-(3,5-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine has a molecular weight of 739.92 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3,5-diphenylphenyl)-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 170675458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).