N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,10-bis(ethenyl)phenanthren-2-amine

C54H35NS2 — CID 134444644

IUPACN,N-bis(4-dibenzothiophen-2-ylphenyl)-9,10-bis(ethenyl)phenanthren-2-amine
SMILESC=Cc1c(C=C)c2cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)ccc2c2ccccc12
InChIInChI=1S/C54H35NS2/c1-3-41-42(4-2)48-33-40(27-28-45(48)44-12-6-5-11-43(41)44)55(38-23-17-34(18-24-38)36-21-29-53-49(31-36)46-13-7-9-15-51(46)56-53)39-25-19-35(20-26-39)37-22-30-54-50(32-37)47-14-8-10-16-52(47)57-54/h3-33H,1-2H2
InChIKeyFJCVYKIAMVRQJB-UHFFFAOYSA-N
MW762.01 g/mol
LogP16.82
Rot. Bonds7

About N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,10-bis(ethenyl)phenanthren-2-amine

N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,10-bis(ethenyl)phenanthren-2-amine (PubChem CID 134444644) has the molecular formula C54H35NS2 and a molecular weight of 762.01 g/mol. Its IUPAC name is N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,10-bis(ethenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN,N-bis(4-dibenzothiophen-2-ylphenyl)-9,10-bis(ethenyl)phenanthren-2-amine
PubChem CID134444644
Molecular FormulaC54H35NS2
Molecular Weight762.01 g/mol
Exact Mass761.22
IUPAC NameN,N-bis(4-dibenzothiophen-2-ylphenyl)-9,10-bis(ethenyl)phenanthren-2-amine
SMILESC=Cc1c(C=C)c2cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)ccc2c2ccccc12
InChIInChI=1S/C54H35NS2/c1-3-41-42(4-2)48-33-40(27-28-45(48)44-12-6-5-11-43(41)44)55(38-23-17-34(18-24-38)36-21-29-53-49(31-36)46-13-7-9-15-51(46)56-53)39-25-19-35(20-26-39)37-22-30-54-50(32-37)47-14-8-10-16-52(47)57-54/h3-33H,1-2H2
InChIKeyFJCVYKIAMVRQJB-UHFFFAOYSA-N
XLogP16.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.01
LogP ≤ 516.82
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,N-bis(4-dibenzothiophen-2-ylphenyl)-4-triphenylen-2-ylaniline
CID 118214585
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
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-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-N,N-diphenylaniline
CID 121383193
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

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,10-bis(ethenyl)phenanthren-2-amine?
The IUPAC name of N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,10-bis(ethenyl)phenanthren-2-amine (CID 134444644) is N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,10-bis(ethenyl)phenanthren-2-amine.
What is the SMILES notation for N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,10-bis(ethenyl)phenanthren-2-amine?
The canonical SMILES for N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,10-bis(ethenyl)phenanthren-2-amine is C=Cc1c(C=C)c2cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)ccc2c2ccccc12.
What is the InChIKey of N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,10-bis(ethenyl)phenanthren-2-amine?
The InChIKey is FJCVYKIAMVRQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NS2/c1-3-41-42(4-2)48-33-40(27-28-45(48)44-12-6-5-11-43(41)44)55(38-23-17-34(18-24-38)36-21-29-53-49(31-36)46-13-7-9-15-51(46)56-53)39-25-19-35(20-26-39)37-22-30-54-50(32-37)47-14-8-10-16-52(47)57-54/h3-33H,1-2H2.
What are the key properties of N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,10-bis(ethenyl)phenanthren-2-amine?
N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,10-bis(ethenyl)phenanthren-2-amine has a molecular weight of 762.01 g/mol, XLogP of 16.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzothiophen-2-ylphenyl)-9,10-bis(ethenyl)phenanthren-2-amine is sourced from PubChem (CID 134444644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).