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

C52H33NOS — CID 177069291

IUPACN-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5sc6ccccc6c45)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(45-20-11-23-49-50(45)44-18-7-9-22-48(44)55-49)46-33-32-42(41-19-10-15-38-14-4-5-16-40(38)41)52-51(46)43-17-6-8-21-47(43)54-52/h1-33H
InChIKeyKYKOJLHPNZRKEZ-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

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

N-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 177069291) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID177069291
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5sc6ccccc6c45)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(45-20-11-23-49-50(45)44-18-7-9-22-48(44)55-49)46-33-32-42(41-19-10-15-38-14-4-5-16-40(38)41)52-51(46)43-17-6-8-21-47(43)54-52/h1-33H
InChIKeyKYKOJLHPNZRKEZ-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-1-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

N-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-1-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820966
N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069412
N-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
CID 176821102
4-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 176824657
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 168847999
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848086
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-1-yl-N-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326359
2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167325878
N-dibenzothiophen-1-yl-N-phenanthren-4-yl-4-phenyldibenzofuran-1-amine
CID 176820661
N-(4-dibenzothiophen-1-ylphenyl)-N-phenanthren-3-yl-4-phenyldibenzofuran-1-amine
CID 176820910
N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739542
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168848092

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 177069291) is N-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc5sc6ccccc6c45)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cc3)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is KYKOJLHPNZRKEZ-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(45-20-11-23-49-50(45)44-18-7-9-22-48(44)55-49)46-33-32-42(41-19-10-15-38-14-4-5-16-40(38)41)52-51(46)43-17-6-8-21-47(43)54-52/h1-33H.
What are the key properties of N-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
N-dibenzothiophen-1-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-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 177069291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).