6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine

C66H39NO3 — CID 130290539

IUPAC6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2cc3ccccc3c3c2oc2c(N(c4cccc5c4oc4c(-c6ccccc6)cc6ccccc6c45)c4cccc5c4oc4c(-c6ccccc6)cc6ccccc6c45)cccc23)cc1
InChIInChI=1S/C66H39NO3/c1-4-19-40(20-5-1)52-37-43-25-10-13-28-46(43)58-49-31-16-34-55(61(49)68-64(52)58)67(56-35-17-32-50-59-47-29-14-11-26-44(47)38-53(65(59)69-62(50)56)41-21-6-2-7-22-41)57-36-18-33-51-60-48-30-15-12-27-45(48)39-54(66(60)70-63(51)57)42-23-8-3-9-24-42/h1-39H
InChIKeyPHYYNKZQZLOLHB-UHFFFAOYSA-N
MW894.04 g/mol
LogP19.32
Rot. Bonds6

About 6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine

6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 130290539) has the molecular formula C66H39NO3 and a molecular weight of 894.04 g/mol. Its IUPAC name is 6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound Name6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID130290539
Molecular FormulaC66H39NO3
Molecular Weight894.04 g/mol
Exact Mass893.29
IUPAC Name6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2cc3ccccc3c3c2oc2c(N(c4cccc5c4oc4c(-c6ccccc6)cc6ccccc6c45)c4cccc5c4oc4c(-c6ccccc6)cc6ccccc6c45)cccc23)cc1
InChIInChI=1S/C66H39NO3/c1-4-19-40(20-5-1)52-37-43-25-10-13-28-46(43)58-49-31-16-34-55(61(49)68-64(52)58)67(56-35-17-32-50-59-47-29-14-11-26-44(47)38-53(65(59)69-62(50)56)41-21-6-2-7-22-41)57-36-18-33-51-60-48-30-15-12-27-45(48)39-54(66(60)70-63(51)57)42-23-8-3-9-24-42/h1-39H
InChIKeyPHYYNKZQZLOLHB-UHFFFAOYSA-N
XLogP19.32
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.04
LogP ≤ 519.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289732
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289864
6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290660
N-dibenzofuran-1-yl-N,6-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176844230
6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290545
1-N,6-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-bis(5,6,7,8-tetrahydronaphthalen-1-yl)pyrene-1,6-diamine
CID 118944405
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 161499760
N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844263
12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 126550533
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028594
N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-6-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289739
N-(9,9-dimethylfluoren-2-yl)-N,6-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844440

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of 6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine (CID 130290539) is 6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for 6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for 6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine is c1ccc(-c2cc3ccccc3c3c2oc2c(N(c4cccc5c4oc4c(-c6ccccc6)cc6ccccc6c45)c4cccc5c4oc4c(-c6ccccc6)cc6ccccc6c45)cccc23)cc1.
What is the InChIKey of 6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is PHYYNKZQZLOLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H39NO3/c1-4-19-40(20-5-1)52-37-43-25-10-13-28-46(43)58-49-31-16-34-55(61(49)68-64(52)58)67(56-35-17-32-50-59-47-29-14-11-26-44(47)38-53(65(59)69-62(50)56)41-21-6-2-7-22-41)57-36-18-33-51-60-48-30-15-12-27-45(48)39-54(66(60)70-63(51)57)42-23-8-3-9-24-42/h1-39H.
What are the key properties of 6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine?
6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 894.04 g/mol, XLogP of 19.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 130290539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).