N-[2-naphtho[1,2-b][1]benzofuran-8-yl-3-(4-phenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine

C75H49NO — CID 170666026

IUPACN-[2-naphtho[1,2-b][1]benzofuran-8-yl-3-(4-phenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc(-c5ccccc5)c5ccccc45)c3-c3ccc4oc5c6ccccc6ccc5c4c3)cc2)cc1
InChIInChI=1S/C75H49NO/c1-5-20-50(21-6-1)51-36-38-54(39-37-51)60-33-19-35-71(73(60)55-41-47-72-67(48-55)66-43-40-53-24-13-14-29-61(53)74(66)77-72)76(70-46-45-59(52-22-7-2-8-23-52)62-30-15-16-32-65(62)70)58-42-44-64-63-31-17-18-34-68(63)75(69(64)49-58,56-25-9-3-10-26-56)57-27-11-4-12-28-57/h1-49H
InChIKeyDMJDBWNQPVGJOU-UHFFFAOYSA-N
MW980.22 g/mol
LogP20.39
Rot. Bonds9

About N-[2-naphtho[1,2-b][1]benzofuran-8-yl-3-(4-phenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine

N-[2-naphtho[1,2-b][1]benzofuran-8-yl-3-(4-phenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine (PubChem CID 170666026) has the molecular formula C75H49NO and a molecular weight of 980.22 g/mol. Its IUPAC name is N-[2-naphtho[1,2-b][1]benzofuran-8-yl-3-(4-phenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine.

Molecular Properties

Compound NameN-[2-naphtho[1,2-b][1]benzofuran-8-yl-3-(4-phenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine
PubChem CID170666026
Molecular FormulaC75H49NO
Molecular Weight980.22 g/mol
Exact Mass979.38
IUPAC NameN-[2-naphtho[1,2-b][1]benzofuran-8-yl-3-(4-phenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc(-c5ccccc5)c5ccccc45)c3-c3ccc4oc5c6ccccc6ccc5c4c3)cc2)cc1
InChIInChI=1S/C75H49NO/c1-5-20-50(21-6-1)51-36-38-54(39-37-51)60-33-19-35-71(73(60)55-41-47-72-67(48-55)66-43-40-53-24-13-14-29-61(53)74(66)77-72)76(70-46-45-59(52-22-7-2-8-23-52)62-30-15-16-32-65(62)70)58-42-44-64-63-31-17-18-34-68(63)75(69(64)49-58,56-25-9-3-10-26-56)57-27-11-4-12-28-57/h1-49H
InChIKeyDMJDBWNQPVGJOU-UHFFFAOYSA-N
XLogP20.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.22
LogP ≤ 520.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121378
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 174279720
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221522
N-(9,9-diphenylfluoren-2-yl)-N,8-diphenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 167143415
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-8-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 170674938
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167330938
N-(9,9-diphenylfluoren-2-yl)-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675305
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 167330969
N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423223
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167330009
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 177121964
N-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423752

Frequently Asked Questions

What is the IUPAC name of N-[2-naphtho[1,2-b][1]benzofuran-8-yl-3-(4-phenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine?
The IUPAC name of N-[2-naphtho[1,2-b][1]benzofuran-8-yl-3-(4-phenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine (CID 170666026) is N-[2-naphtho[1,2-b][1]benzofuran-8-yl-3-(4-phenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine.
What is the SMILES notation for N-[2-naphtho[1,2-b][1]benzofuran-8-yl-3-(4-phenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine?
The canonical SMILES for N-[2-naphtho[1,2-b][1]benzofuran-8-yl-3-(4-phenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine is c1ccc(-c2ccc(-c3cccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4ccc(-c5ccccc5)c5ccccc45)c3-c3ccc4oc5c6ccccc6ccc5c4c3)cc2)cc1.
What is the InChIKey of N-[2-naphtho[1,2-b][1]benzofuran-8-yl-3-(4-phenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine?
The InChIKey is DMJDBWNQPVGJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H49NO/c1-5-20-50(21-6-1)51-36-38-54(39-37-51)60-33-19-35-71(73(60)55-41-47-72-67(48-55)66-43-40-53-24-13-14-29-61(53)74(66)77-72)76(70-46-45-59(52-22-7-2-8-23-52)62-30-15-16-32-65(62)70)58-42-44-64-63-31-17-18-34-68(63)75(69(64)49-58,56-25-9-3-10-26-56)57-27-11-4-12-28-57/h1-49H.
What are the key properties of N-[2-naphtho[1,2-b][1]benzofuran-8-yl-3-(4-phenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine?
N-[2-naphtho[1,2-b][1]benzofuran-8-yl-3-(4-phenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine has a molecular weight of 980.22 g/mol, XLogP of 20.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-naphtho[1,2-b][1]benzofuran-8-yl-3-(4-phenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine is sourced from PubChem (CID 170666026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).