N-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine

C54H35NS — CID 155304619

IUPACN-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4c(-c5cccc6ccccc56)c5ccccc5c5ccccc45)c4cccc5c4sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C54H35NS/c1-2-15-36(16-3-1)39-19-12-20-40(35-39)37-31-33-41(34-32-37)55(50-29-14-28-49-45-24-10-11-30-51(45)56-54(49)50)53-48-26-9-7-23-44(48)43-22-6-8-25-47(43)52(53)46-27-13-18-38-17-4-5-21-42(38)46/h1-35H
InChIKeyLXCKSPLZMBUQOE-UHFFFAOYSA-N
MW729.95 g/mol
LogP15.98
Rot. Bonds6

About N-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine

N-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine (PubChem CID 155304619) has the molecular formula C54H35NS and a molecular weight of 729.95 g/mol. Its IUPAC name is N-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
PubChem CID155304619
Molecular FormulaC54H35NS
Molecular Weight729.95 g/mol
Exact Mass729.25
IUPAC NameN-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4c(-c5cccc6ccccc56)c5ccccc5c5ccccc45)c4cccc5c4sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C54H35NS/c1-2-15-36(16-3-1)39-19-12-20-40(35-39)37-31-33-41(34-32-37)55(50-29-14-28-49-45-24-10-11-30-51(45)56-54(49)50)53-48-26-9-7-23-44(48)43-22-6-8-25-47(43)52(53)46-27-13-18-38-17-4-5-21-42(38)46/h1-35H
InChIKeyLXCKSPLZMBUQOE-UHFFFAOYSA-N
XLogP15.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.95
LogP ≤ 515.98
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-(4-dibenzothiophen-4-ylphenyl)-10-naphthalen-1-yl-N-phenylphenanthren-9-amine
CID 155305485
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139355171
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605620
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566107
N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine
CID 155305496
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718869
N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(3-phenylphenyl)phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-3-phenylphenyl]-10-phenylphenanthren-9-amine
CID 155304328
N-[4-(8-phenylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 176590511
N-(4-naphthalen-1-ylphenyl)-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605660
N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086636
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977

Frequently Asked Questions

What is the IUPAC name of N-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine (CID 155304619) is N-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine is c1ccc(-c2cccc(-c3ccc(N(c4c(-c5cccc6ccccc56)c5ccccc5c5ccccc45)c4cccc5c4sc4ccccc45)cc3)c2)cc1.
What is the InChIKey of N-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine?
The InChIKey is LXCKSPLZMBUQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NS/c1-2-15-36(16-3-1)39-19-12-20-40(35-39)37-31-33-41(34-32-37)55(50-29-14-28-49-45-24-10-11-30-51(45)56-54(49)50)53-48-26-9-7-23-44(48)43-22-6-8-25-47(43)52(53)46-27-13-18-38-17-4-5-21-42(38)46/h1-35H.
What are the key properties of N-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine?
N-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine has a molecular weight of 729.95 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 155304619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).