N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzothiophen-2-amine

C50H33NS — CID 155304457

IUPACN-(3-phenylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(-c3c(N(c4cccc(-c5ccccc5)c4)c4ccc5sc6ccccc6c5c4)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C50H33NS/c1-3-14-34(15-4-1)36-26-28-37(29-27-36)49-44-23-9-7-20-41(44)42-21-8-10-24-45(42)50(49)51(39-19-13-18-38(32-39)35-16-5-2-6-17-35)40-30-31-48-46(33-40)43-22-11-12-25-47(43)52-48/h1-33H
InChIKeyOGIJMSVWSFKBNG-UHFFFAOYSA-N
MW679.89 g/mol
LogP14.83
Rot. Bonds6

About N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzothiophen-2-amine

N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzothiophen-2-amine (PubChem CID 155304457) has the molecular formula C50H33NS and a molecular weight of 679.89 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzothiophen-2-amine
PubChem CID155304457
Molecular FormulaC50H33NS
Molecular Weight679.89 g/mol
Exact Mass679.23
IUPAC NameN-(3-phenylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(-c3c(N(c4cccc(-c5ccccc5)c4)c4ccc5sc6ccccc6c5c4)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C50H33NS/c1-3-14-34(15-4-1)36-26-28-37(29-27-36)49-44-23-9-7-20-41(44)42-21-8-10-24-45(42)50(49)51(39-19-13-18-38(32-39)35-16-5-2-6-17-35)40-30-31-48-46(33-40)43-22-11-12-25-47(43)52-48/h1-33H
InChIKeyOGIJMSVWSFKBNG-UHFFFAOYSA-N
XLogP14.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.89
LogP ≤ 514.83
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

10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304643
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,5-diphenylphenyl)dibenzothiophen-2-amine
CID 169062180
N-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine
CID 118214718
N,10-diphenyl-N-(3-phenylphenyl)phenanthren-9-amine
CID 155304286
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 121261333
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
N-[3-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296596
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
N-(3-dibenzothiophen-4-ylphenyl)-N,10-bis(3-phenylphenyl)phenanthren-9-amine
CID 155304369
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-2-yldibenzothiophen-2-amine
CID 169062832

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzothiophen-2-amine?
The IUPAC name of N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzothiophen-2-amine (CID 155304457) is N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzothiophen-2-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzothiophen-2-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzothiophen-2-amine is c1ccc(-c2ccc(-c3c(N(c4cccc(-c5ccccc5)c4)c4ccc5sc6ccccc6c5c4)c4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzothiophen-2-amine?
The InChIKey is OGIJMSVWSFKBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NS/c1-3-14-34(15-4-1)36-26-28-37(29-27-36)49-44-23-9-7-20-41(44)42-21-8-10-24-45(42)50(49)51(39-19-13-18-38(32-39)35-16-5-2-6-17-35)40-30-31-48-46(33-40)43-22-11-12-25-47(43)52-48/h1-33H.
What are the key properties of N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzothiophen-2-amine?
N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzothiophen-2-amine has a molecular weight of 679.89 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzothiophen-2-amine is sourced from PubChem (CID 155304457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).