N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine

C56H37NS — CID 155305678

IUPACN-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5-c5cccc6c5sc5ccccc56)c5cc6ccccc6c6ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H37NS/c1-2-13-38(14-3-1)39-25-27-40(28-26-39)41-29-31-42(32-30-41)43-33-35-45(36-34-43)57(54-37-44-15-4-5-16-46(44)47-17-6-7-18-48(47)54)53-23-10-8-19-49(53)51-21-12-22-52-50-20-9-11-24-55(50)58-56(51)52/h1-37H
InChIKeyMQOPWGSZTUQDON-UHFFFAOYSA-N
MW755.99 g/mol
LogP16.50
Rot. Bonds7

About N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine

N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine (PubChem CID 155305678) has the molecular formula C56H37NS and a molecular weight of 755.99 g/mol. Its IUPAC name is N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
PubChem CID155305678
Molecular FormulaC56H37NS
Molecular Weight755.99 g/mol
Exact Mass755.26
IUPAC NameN-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5-c5cccc6c5sc5ccccc56)c5cc6ccccc6c6ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H37NS/c1-2-13-38(14-3-1)39-25-27-40(28-26-39)41-29-31-42(32-30-41)43-33-35-45(36-34-43)57(54-37-44-15-4-5-16-46(44)47-17-6-7-18-48(47)54)53-23-10-8-19-49(53)51-21-12-22-52-50-20-9-11-24-55(50)58-56(51)52/h1-37H
InChIKeyMQOPWGSZTUQDON-UHFFFAOYSA-N
XLogP16.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.99
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(3-dibenzothiophen-4-ylphenyl)phenanthren-9-amine;N,N-bis(3-dibenzothiophen-4-ylphenyl)-3-(4-phenylphenyl)aniline;2-dibenzothiophen-4-yl-N-(2-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159307447
N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155305049
N-(2-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501939
2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 129274012
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501487
N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325271
N-(4-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-4-amine
CID 169007439
N-(2-dibenzothiophen-4-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235510
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172500791
N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 168767151
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172502003

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine (CID 155305678) is N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine.
What is the SMILES notation for N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The canonical SMILES for N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine is c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5-c5cccc6c5sc5ccccc56)c5cc6ccccc6c6ccccc56)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The InChIKey is MQOPWGSZTUQDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NS/c1-2-13-38(14-3-1)39-25-27-40(28-26-39)41-29-31-42(32-30-41)43-33-35-45(36-34-43)57(54-37-44-15-4-5-16-46(44)47-17-6-7-18-48(47)54)53-23-10-8-19-49(53)51-21-12-22-52-50-20-9-11-24-55(50)58-56(51)52/h1-37H.
What are the key properties of N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine has a molecular weight of 755.99 g/mol, XLogP of 16.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine is sourced from PubChem (CID 155305678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).