7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine

C46H30N2OS — CID 166917120

IUPAC7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine
SMILESc1ccc(N(c2ccc3ccc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc3c2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C46H30N2OS/c1-3-11-33(12-4-1)47(37-23-25-40-39-15-7-9-17-43(39)49-44(40)29-37)35-21-19-31-20-22-36(28-32(31)27-35)48(34-13-5-2-6-14-34)38-24-26-42-41-16-8-10-18-45(41)50-46(42)30-38/h1-30H
InChIKeyQVIFPJRSVAXWHG-UHFFFAOYSA-N
MW658.83 g/mol
LogP14.05
Rot. Bonds6

About 7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine

7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine (PubChem CID 166917120) has the molecular formula C46H30N2OS and a molecular weight of 658.83 g/mol. Its IUPAC name is 7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine.

Molecular Properties

Compound Name7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine
PubChem CID166917120
Molecular FormulaC46H30N2OS
Molecular Weight658.83 g/mol
Exact Mass658.21
IUPAC Name7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine
SMILESc1ccc(N(c2ccc3ccc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc3c2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C46H30N2OS/c1-3-11-33(12-4-1)47(37-23-25-40-39-15-7-9-17-43(39)49-44(40)29-37)35-21-19-31-20-22-36(28-32(31)27-35)48(34-13-5-2-6-14-34)38-24-26-42-41-16-8-10-18-45(41)50-46(42)30-38/h1-30H
InChIKeyQVIFPJRSVAXWHG-UHFFFAOYSA-N
XLogP14.05
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.83
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine 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-dibenzothiophen-3-yl-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170779092
7-N-dibenzofuran-2-yl-19-N-dibenzothiophen-2-yl-7-N,19-N-diphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 146694397
3-N-dibenzothiophen-3-yl-3-N-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-1-N,1-N-diphenylbenzene-1,3-diamine
CID 159064686
N-benzo[g]phenanthren-3-yl-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 167183946
6-N,18-N-di(dibenzofuran-3-yl)-6-N,18-N-diphenyl-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-6,18-diamine
CID 149289463
7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 146573933
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 158872648
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
N-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123178
2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine
CID 170410775
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
CID 176781504

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine?
The IUPAC name of 7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine (CID 166917120) is 7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine.
What is the SMILES notation for 7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine?
The canonical SMILES for 7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine is c1ccc(N(c2ccc3ccc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)cc3c2)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of 7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine?
The InChIKey is QVIFPJRSVAXWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2OS/c1-3-11-33(12-4-1)47(37-23-25-40-39-15-7-9-17-43(39)49-44(40)29-37)35-21-19-31-20-22-36(28-32(31)27-35)48(34-13-5-2-6-14-34)38-24-26-42-41-16-8-10-18-45(41)50-46(42)30-38/h1-30H.
What are the key properties of 7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine?
7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine has a molecular weight of 658.83 g/mol, XLogP of 14.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine is sourced from PubChem (CID 166917120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).