N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine

C52H33NOS — CID 177069412

IUPACN-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5c4sc4ccccc45)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C52H33NOS/c1-2-12-34(13-3-1)35-24-26-36(27-25-35)37-28-30-39(31-29-37)53(47-21-11-20-44-42-17-7-9-23-49(42)55-52(44)47)46-33-32-43(41-19-10-15-38-14-4-5-16-40(38)41)51-50(46)45-18-6-8-22-48(45)54-51/h1-33H
InChIKeyLNTAZOZGYOSMMH-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine

N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 177069412) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID177069412
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5c4sc4ccccc45)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C52H33NOS/c1-2-12-34(13-3-1)35-24-26-36(27-25-35)37-28-30-39(31-29-37)53(47-21-11-20-44-42-17-7-9-23-49(42)55-52(44)47)46-33-32-43(41-19-10-15-38-14-4-5-16-40(38)41)51-50(46)45-18-6-8-22-48(45)54-51/h1-33H
InChIKeyLNTAZOZGYOSMMH-UHFFFAOYSA-N
XLogP15.58
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.91
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-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

4-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 176824657
N-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069291
N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
CID 176820668
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186805
N-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820966
4-naphthalen-1-yl-N-phenanthren-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
CID 176820868
N-(4-dibenzofuran-1-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-4-amine
CID 167234327
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
CID 159533603
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171435269
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167397345
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848086
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 154605617

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 177069412) is N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc5c4sc4ccccc45)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cc3)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is LNTAZOZGYOSMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-12-34(13-3-1)35-24-26-36(27-25-35)37-28-30-39(31-29-37)53(47-21-11-20-44-42-17-7-9-23-49(42)55-52(44)47)46-33-32-43(41-19-10-15-38-14-4-5-16-40(38)41)51-50(46)45-18-6-8-22-48(45)54-51/h1-33H.
What are the key properties of N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 719.91 g/mol, XLogP of 15.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 177069412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).