8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine

C54H37NO — CID 167397321

IUPAC8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cccc5oc6ccc(-c7ccccc7)cc6c45)cc3)c2)cc1
InChIInChI=1S/C54H37NO/c1-4-13-38(14-5-1)43-19-10-21-45(35-43)41-25-30-48(31-26-41)55(49-32-27-42(28-33-49)46-22-11-20-44(36-46)39-15-6-2-7-16-39)51-23-12-24-53-54(51)50-37-47(29-34-52(50)56-53)40-17-8-3-9-18-40/h1-37H
InChIKeyKJKTYRBNEKHQTC-UHFFFAOYSA-N
MW715.90 g/mol
LogP15.39
Rot. Bonds8

About 8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine

8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 167397321) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is 8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound Name8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID167397321
Molecular FormulaC54H37NO
Molecular Weight715.90 g/mol
Exact Mass715.29
IUPAC Name8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cccc5oc6ccc(-c7ccccc7)cc6c45)cc3)c2)cc1
InChIInChI=1S/C54H37NO/c1-4-13-38(14-5-1)43-19-10-21-45(35-43)41-25-30-48(31-26-41)55(49-32-27-42(28-33-49)46-22-11-20-44(36-46)39-15-6-2-7-16-39)51-23-12-24-53-54(51)50-37-47(29-34-52(50)56-53)40-17-8-3-9-18-40/h1-37H
InChIKeyKJKTYRBNEKHQTC-UHFFFAOYSA-N
XLogP15.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N,N-bis(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine
CID 171050107
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186962
8-(8-dibenzofuran-3-yldibenzofuran-2-yl)-N,N-diphenyldibenzofuran-1-amine
CID 174244453
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502866
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
N,N,17-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine
CID 171050359
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 174321862
N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086811
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301401
N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 158699050

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of 8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 167397321) is 8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for 8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for 8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cccc5oc6ccc(-c7ccccc7)cc6c45)cc3)c2)cc1.
What is the InChIKey of 8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is KJKTYRBNEKHQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-4-13-38(14-5-1)43-19-10-21-45(35-43)41-25-30-48(31-26-41)55(49-32-27-42(28-33-49)46-22-11-20-44(36-46)39-15-6-2-7-16-39)51-23-12-24-53-54(51)50-37-47(29-34-52(50)56-53)40-17-8-3-9-18-40/h1-37H.
What are the key properties of 8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 715.90 g/mol, XLogP of 15.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 167397321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).