N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine

C56H35NOS — CID 155303419

IUPACN-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3c(N(c4cccc(-c5cccc6sc7ccccc7c56)c4)c4cccc5c4oc4ccccc45)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C56H35NOS/c1-2-15-36(16-3-1)37-31-33-38(34-32-37)53-45-22-6-4-19-42(45)43-20-5-7-23-46(43)55(53)57(49-27-13-26-47-44-21-8-10-28-50(44)58-56(47)49)40-18-12-17-39(35-40)41-25-14-30-52-54(41)48-24-9-11-29-51(48)59-52/h1-35H
InChIKeyLIJUIJVHGCFPMN-UHFFFAOYSA-N
MW769.97 g/mol
LogP16.73
Rot. Bonds6

About N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine

N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine (PubChem CID 155303419) has the molecular formula C56H35NOS and a molecular weight of 769.97 g/mol. Its IUPAC name is N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine
PubChem CID155303419
Molecular FormulaC56H35NOS
Molecular Weight769.97 g/mol
Exact Mass769.24
IUPAC NameN-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3c(N(c4cccc(-c5cccc6sc7ccccc7c56)c4)c4cccc5c4oc4ccccc45)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C56H35NOS/c1-2-15-36(16-3-1)37-31-33-38(34-32-37)53-45-22-6-4-19-42(45)43-20-5-7-23-46(43)55(53)57(49-27-13-26-47-44-21-8-10-28-50(44)58-56(47)49)40-18-12-17-39(35-40)41-25-14-30-52-54(41)48-24-9-11-29-51(48)59-52/h1-35H
InChIKeyLIJUIJVHGCFPMN-UHFFFAOYSA-N
XLogP16.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.97
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine
CID 164987719
9-[6-[10-(N-dibenzofuran-4-yl-3-dibenzothiophen-4-ylanilino)phenanthren-9-yl]naphthalen-2-yl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-4-amine
CID 155305668
N-dibenzofuran-4-yl-N-[3-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine
CID 164965115
N-(3-dibenzofuran-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-1-amine
CID 155304502
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-1-amine
CID 170676842
N-[10-(3-phenylphenyl)phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 155304327
N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163957586
N-dibenzothiophen-3-yl-N-(3-dibenzothiophen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
CID 170666068
N-(3-dibenzothiophen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 168767291
N-dibenzothiophen-3-yl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine
CID 140943740
8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine
CID 174244486
N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767555

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine?
The IUPAC name of N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine (CID 155303419) is N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine.
What is the SMILES notation for N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine?
The canonical SMILES for N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine is c1ccc(-c2ccc(-c3c(N(c4cccc(-c5cccc6sc7ccccc7c56)c4)c4cccc5c4oc4ccccc45)c4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine?
The InChIKey is LIJUIJVHGCFPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NOS/c1-2-15-36(16-3-1)37-31-33-38(34-32-37)53-45-22-6-4-19-42(45)43-20-5-7-23-46(43)55(53)57(49-27-13-26-47-44-21-8-10-28-50(44)58-56(47)49)40-18-12-17-39(35-40)41-25-14-30-52-54(41)48-24-9-11-29-51(48)59-52/h1-35H.
What are the key properties of N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine?
N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine has a molecular weight of 769.97 g/mol, XLogP of 16.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine is sourced from PubChem (CID 155303419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).