7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine

C54H33NO3 — CID 174244796

IUPAC7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3cc(-c5ccc6c(c5)oc5cc(-c7ccc8c(c7)oc7ccccc78)ccc56)ccc34)cc2)cc1
InChIInChI=1S/C54H33NO3/c1-3-10-34(11-4-1)35-18-24-41(25-19-35)55(40-12-5-2-6-13-40)48-16-9-15-47-46-29-23-39(33-53(46)58-54(47)48)38-22-28-45-44-27-21-37(31-51(44)57-52(45)32-38)36-20-26-43-42-14-7-8-17-49(42)56-50(43)30-36/h1-33H
InChIKeyMCNHMJXAPXAEIF-UHFFFAOYSA-N
MW743.86 g/mol
LogP15.86
Rot. Bonds6

About 7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine

7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 174244796) has the molecular formula C54H33NO3 and a molecular weight of 743.86 g/mol. Its IUPAC name is 7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID174244796
Molecular FormulaC54H33NO3
Molecular Weight743.86 g/mol
Exact Mass743.25
IUPAC Name7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3cc(-c5ccc6c(c5)oc5cc(-c7ccc8c(c7)oc7ccccc78)ccc56)ccc34)cc2)cc1
InChIInChI=1S/C54H33NO3/c1-3-10-34(11-4-1)35-18-24-41(25-19-35)55(40-12-5-2-6-13-40)48-16-9-15-47-46-29-23-39(33-53(46)58-54(47)48)38-22-28-45-44-27-21-37(31-51(44)57-52(45)32-38)36-20-26-43-42-14-7-8-17-49(42)56-50(43)30-36/h1-33H
InChIKeyMCNHMJXAPXAEIF-UHFFFAOYSA-N
XLogP15.86
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.86
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,17-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050051
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
17-phenyl-N,N-bis(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050177
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)phenyl]dibenzofuran-4-amine
CID 176808337
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-(4-dibenzofuran-3-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804046
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397570
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 170095984
9-(7-dibenzofuran-3-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-4-amine
CID 174244517
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine
CID 167397866

Frequently Asked Questions

What is the IUPAC name of 7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of 7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 174244796) is 7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3cc(-c5ccc6c(c5)oc5cc(-c7ccc8c(c7)oc7ccccc78)ccc56)ccc34)cc2)cc1.
What is the InChIKey of 7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is MCNHMJXAPXAEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO3/c1-3-10-34(11-4-1)35-18-24-41(25-19-35)55(40-12-5-2-6-13-40)48-16-9-15-47-46-29-23-39(33-53(46)58-54(47)48)38-22-28-45-44-27-21-37(31-51(44)57-52(45)32-38)36-20-26-43-42-14-7-8-17-49(42)56-50(43)30-36/h1-33H.
What are the key properties of 7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 743.86 g/mol, XLogP of 15.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 174244796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).