N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

C46H29NO3 — CID 166986543

IUPACN-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3ccc4c(c3)Oc3cccc5cccc(c35)O4)cc2)cc1
InChIInChI=1S/C46H29NO3/c1-2-10-30(11-3-1)31-20-23-34(24-21-31)47(35-25-26-38-37-15-5-7-17-40(37)48-44(38)29-35)39-16-6-4-14-36(39)33-22-27-41-45(28-33)50-43-19-9-13-32-12-8-18-42(49-41)46(32)43/h1-29H
InChIKeyAUBRPBPDKGDXMA-UHFFFAOYSA-N
MW643.74 g/mol
LogP13.44
Rot. Bonds5

About N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 166986543) has the molecular formula C46H29NO3 and a molecular weight of 643.74 g/mol. Its IUPAC name is N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID166986543
Molecular FormulaC46H29NO3
Molecular Weight643.74 g/mol
Exact Mass643.21
IUPAC NameN-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3ccc4c(c3)Oc3cccc5cccc(c35)O4)cc2)cc1
InChIInChI=1S/C46H29NO3/c1-2-10-30(11-3-1)31-20-23-34(24-21-31)47(35-25-26-38-37-15-5-7-17-40(37)48-44(38)29-35)39-16-6-4-14-36(39)33-22-27-41-45(28-33)50-43-19-9-13-32-12-8-18-42(49-41)46(32)43/h1-29H
InChIKeyAUBRPBPDKGDXMA-UHFFFAOYSA-N
XLogP13.44
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.74
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-(2-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167326199
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-(2-phenylphenyl)dibenzofuran-3-amine
CID 174322022
N-[2-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789729
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269
2-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167323911
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167326443
N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 165048813
2-dibenzofuran-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324805
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 167182926
N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085231
N-dibenzofuran-3-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 161336699

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 166986543) is N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3-c3ccc4c(c3)Oc3cccc5cccc(c35)O4)cc2)cc1.
What is the InChIKey of N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is AUBRPBPDKGDXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO3/c1-2-10-30(11-3-1)31-20-23-34(24-21-31)47(35-25-26-38-37-15-5-7-17-40(37)48-44(38)29-35)39-16-6-4-14-36(39)33-22-27-41-45(28-33)50-43-19-9-13-32-12-8-18-42(49-41)46(32)43/h1-29H.
What are the key properties of N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 643.74 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 166986543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).