N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine

C48H34N2O — CID 174245859

IUPACN-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H34N2O/c1-4-12-39(13-5-1)49(40-14-6-2-7-15-40)42-28-24-37(25-29-42)35-20-22-36(23-21-35)38-26-30-43(31-27-38)50(41-16-8-3-9-17-41)44-32-33-48-46(34-44)45-18-10-11-19-47(45)51-48/h1-34H
InChIKeyBVJMPGLCBISERU-UHFFFAOYSA-N
MW654.81 g/mol
LogP13.86
Rot. Bonds8

About N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine

N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine (PubChem CID 174245859) has the molecular formula C48H34N2O and a molecular weight of 654.81 g/mol. Its IUPAC name is N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
PubChem CID174245859
Molecular FormulaC48H34N2O
Molecular Weight654.81 g/mol
Exact Mass654.27
IUPAC NameN-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H34N2O/c1-4-12-39(13-5-1)49(40-14-6-2-7-15-40)42-28-24-37(25-29-42)35-20-22-36(23-21-35)38-26-30-43(31-27-38)50(41-16-8-3-9-17-41)44-32-33-48-46(34-44)45-18-10-11-19-47(45)51-48/h1-34H
InChIKeyBVJMPGLCBISERU-UHFFFAOYSA-N
XLogP13.86
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.81
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N,N-diphenyldibenzofuran-2-amine
CID 58038469
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605062
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine?
The IUPAC name of N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine (CID 174245859) is N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine is c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine?
The InChIKey is BVJMPGLCBISERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2O/c1-4-12-39(13-5-1)49(40-14-6-2-7-15-40)42-28-24-37(25-29-42)35-20-22-36(23-21-35)38-26-30-43(31-27-38)50(41-16-8-3-9-17-41)44-32-33-48-46(34-44)45-18-10-11-19-47(45)51-48/h1-34H.
What are the key properties of N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine?
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine has a molecular weight of 654.81 g/mol, XLogP of 13.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 174245859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).