N-(4-dibenzothiophen-4-ylphenyl)-10-naphthalen-1-yl-N-phenylphenanthren-9-amine

C48H31NS — CID 155305485

IUPACN-(4-dibenzothiophen-4-ylphenyl)-10-naphthalen-1-yl-N-phenylphenanthren-9-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2c(-c3cccc4ccccc34)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C48H31NS/c1-2-16-34(17-3-1)49(35-30-28-33(29-31-35)37-24-13-26-44-40-21-10-11-27-45(40)50-48(37)44)47-43-23-9-7-20-39(43)38-19-6-8-22-42(38)46(47)41-25-12-15-32-14-4-5-18-36(32)41/h1-31H
InChIKeyJDWBUCUGASSVBU-UHFFFAOYSA-N
MW653.85 g/mol
LogP14.32
Rot. Bonds5

About N-(4-dibenzothiophen-4-ylphenyl)-10-naphthalen-1-yl-N-phenylphenanthren-9-amine

N-(4-dibenzothiophen-4-ylphenyl)-10-naphthalen-1-yl-N-phenylphenanthren-9-amine (PubChem CID 155305485) has the molecular formula C48H31NS and a molecular weight of 653.85 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-10-naphthalen-1-yl-N-phenylphenanthren-9-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-10-naphthalen-1-yl-N-phenylphenanthren-9-amine
PubChem CID155305485
Molecular FormulaC48H31NS
Molecular Weight653.85 g/mol
Exact Mass653.22
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-10-naphthalen-1-yl-N-phenylphenanthren-9-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2c(-c3cccc4ccccc34)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C48H31NS/c1-2-16-34(17-3-1)49(35-30-28-33(29-31-35)37-24-13-26-44-40-21-10-11-27-45(40)50-48(37)44)47-43-23-9-7-20-39(43)38-19-6-8-22-42(38)46(47)41-25-12-15-32-14-4-5-18-36(32)41/h1-31H
InChIKeyJDWBUCUGASSVBU-UHFFFAOYSA-N
XLogP14.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.85
LogP ≤ 514.32
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-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155304619
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline;4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 158485457
4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59022057
3-dibenzothiophen-4-yl-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 168766727
N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine
CID 155305496
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 59022060
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(2,5-diphenylphenyl)phenyl]-10-(3-phenylphenyl)phenanthren-9-amine
CID 155303762
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-2,6-diphenylaniline
CID 169065383
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
6-N,12-N-bis(3-dibenzothiophen-4-ylphenyl)-6-N,12-N-bis(4-naphthalen-1-ylphenyl)chrysene-6,12-diamine
CID 58462056

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-10-naphthalen-1-yl-N-phenylphenanthren-9-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-10-naphthalen-1-yl-N-phenylphenanthren-9-amine (CID 155305485) is N-(4-dibenzothiophen-4-ylphenyl)-10-naphthalen-1-yl-N-phenylphenanthren-9-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-10-naphthalen-1-yl-N-phenylphenanthren-9-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-10-naphthalen-1-yl-N-phenylphenanthren-9-amine is c1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2c(-c3cccc4ccccc34)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-10-naphthalen-1-yl-N-phenylphenanthren-9-amine?
The InChIKey is JDWBUCUGASSVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NS/c1-2-16-34(17-3-1)49(35-30-28-33(29-31-35)37-24-13-26-44-40-21-10-11-27-45(40)50-48(37)44)47-43-23-9-7-20-39(43)38-19-6-8-22-42(38)46(47)41-25-12-15-32-14-4-5-18-36(32)41/h1-31H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-10-naphthalen-1-yl-N-phenylphenanthren-9-amine?
N-(4-dibenzothiophen-4-ylphenyl)-10-naphthalen-1-yl-N-phenylphenanthren-9-amine has a molecular weight of 653.85 g/mol, XLogP of 14.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-10-naphthalen-1-yl-N-phenylphenanthren-9-amine is sourced from PubChem (CID 155305485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).