N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine

C62H39NS2 — CID 155305496

IUPACN-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3c(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccccc4-c4cccc5c4sc4ccccc45)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C62H39NS2/c1-2-16-40(17-3-1)41-32-34-43(35-33-41)59-51-23-6-4-18-46(51)47-19-5-7-24-52(47)60(59)63(44-38-36-42(37-39-44)45-25-14-27-54-49-21-9-12-30-57(49)64-61(45)54)56-29-11-8-20-48(56)53-26-15-28-55-50-22-10-13-31-58(50)65-62(53)55/h1-39H
InChIKeyGVSQGGASGOROTH-UHFFFAOYSA-N
MW862.14 g/mol
LogP18.87
Rot. Bonds7

About N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine

N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine (PubChem CID 155305496) has the molecular formula C62H39NS2 and a molecular weight of 862.14 g/mol. Its IUPAC name is N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine
PubChem CID155305496
Molecular FormulaC62H39NS2
Molecular Weight862.14 g/mol
Exact Mass861.25
IUPAC NameN-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3c(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccccc4-c4cccc5c4sc4ccccc45)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C62H39NS2/c1-2-16-40(17-3-1)41-32-34-43(35-33-41)59-51-23-6-4-18-46(51)47-19-5-7-24-52(47)60(59)63(44-38-36-42(37-39-44)45-25-14-27-54-49-21-9-12-30-57(49)64-61(45)54)56-29-11-8-20-48(56)53-26-15-28-55-50-22-10-13-31-58(50)65-62(53)55/h1-39H
InChIKeyGVSQGGASGOROTH-UHFFFAOYSA-N
XLogP18.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.14
LogP ≤ 518.87
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-(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-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172500791
2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 129274012
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155305678
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
N-[4-[4-(10-dibenzothiophen-4-ylphenanthren-9-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 142541696
N-(10-naphthalen-1-ylphenanthren-9-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155304619
N-(4-dibenzothiophen-4-ylphenyl)-10-naphthalen-1-yl-N-phenylphenanthren-9-amine
CID 155305485
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-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501487

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine (CID 155305496) is N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine is c1ccc(-c2ccc(-c3c(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccccc4-c4cccc5c4sc4ccccc45)c4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine?
The InChIKey is GVSQGGASGOROTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NS2/c1-2-16-40(17-3-1)41-32-34-43(35-33-41)59-51-23-6-4-18-46(51)47-19-5-7-24-52(47)60(59)63(44-38-36-42(37-39-44)45-25-14-27-54-49-21-9-12-30-57(49)64-61(45)54)56-29-11-8-20-48(56)53-26-15-28-55-50-22-10-13-31-58(50)65-62(53)55/h1-39H.
What are the key properties of N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine?
N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine has a molecular weight of 862.14 g/mol, XLogP of 18.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 155305496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).