N,N-diphenyl-2-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine

C45H31N3S — CID 171747395

IUPACN,N-diphenyl-2-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3nc4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5ccccc5c4s3)c2)cc1
InChIInChI=1S/C45H31N3S/c1-5-17-33(18-6-1)47(34-19-7-2-8-20-34)37-25-15-16-32(30-37)45-46-43-40-29-28-38(31-42(40)39-26-13-14-27-41(39)44(43)49-45)48(35-21-9-3-10-22-35)36-23-11-4-12-24-36/h1-31H
InChIKeyITGWBHHTIOROAO-UHFFFAOYSA-N
MW645.83 g/mol
LogP13.21
Rot. Bonds7

About N,N-diphenyl-2-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine

N,N-diphenyl-2-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine (PubChem CID 171747395) has the molecular formula C45H31N3S and a molecular weight of 645.83 g/mol. Its IUPAC name is N,N-diphenyl-2-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN,N-diphenyl-2-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine
PubChem CID171747395
Molecular FormulaC45H31N3S
Molecular Weight645.83 g/mol
Exact Mass645.22
IUPAC NameN,N-diphenyl-2-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3nc4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5ccccc5c4s3)c2)cc1
InChIInChI=1S/C45H31N3S/c1-5-17-33(18-6-1)47(34-19-7-2-8-20-34)37-25-15-16-32(30-37)45-46-43-40-29-28-38(31-42(40)39-26-13-14-27-41(39)44(43)49-45)48(35-21-9-3-10-22-35)36-23-11-4-12-24-36/h1-31H
InChIKeyITGWBHHTIOROAO-UHFFFAOYSA-N
XLogP13.21
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.83
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N-(4-phenylphenyl)-2-[3-(N-(4-phenylphenyl)anilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine
CID 171747548
N-(3-phenanthro[9,10-d][1,3]thiazol-2-ylphenyl)-N,3-diphenylaniline
CID 171747612
2-[3-(N-dibenzofuran-2-ylanilino)phenyl]-N-phenyl-N-(4-phenylphenyl)phenanthro[10,9-d][1,3]thiazol-6-amine
CID 171747492
3-[2-dibenzofuran-2-yl-9-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-yl]-N,N-diphenylaniline
CID 171747596
N-phenyl-N-[4-(6-phenylphenanthro[9,10-d][1,3]thiazol-2-yl)phenyl]dibenzofuran-2-amine
CID 171747668
N-dibenzofuran-3-yl-7-[4-[6-[4-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenanthro[9,10-d][1,3]thiazol-2-yl]phenyl]-N-[4-(2-phenylphenanthro[10,9-d][1,3]thiazol-6-yl)phenyl]dibenzofuran-3-amine
CID 163891092
7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine
CID 88884899
N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 157494706
N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 58362096
N-[3-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296596
2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine
CID 170410338
N-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine
CID 118214718

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine?
The IUPAC name of N,N-diphenyl-2-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine (CID 171747395) is N,N-diphenyl-2-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine.
What is the SMILES notation for N,N-diphenyl-2-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine?
The canonical SMILES for N,N-diphenyl-2-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine is c1ccc(N(c2ccccc2)c2cccc(-c3nc4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5ccccc5c4s3)c2)cc1.
What is the InChIKey of N,N-diphenyl-2-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine?
The InChIKey is ITGWBHHTIOROAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3S/c1-5-17-33(18-6-1)47(34-19-7-2-8-20-34)37-25-15-16-32(30-37)45-46-43-40-29-28-38(31-42(40)39-26-13-14-27-41(39)44(43)49-45)48(35-21-9-3-10-22-35)36-23-11-4-12-24-36/h1-31H.
What are the key properties of N,N-diphenyl-2-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine?
N,N-diphenyl-2-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine has a molecular weight of 645.83 g/mol, XLogP of 13.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-[3-(N-phenylanilino)phenyl]phenanthro[10,9-d][1,3]thiazol-6-amine is sourced from PubChem (CID 171747395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).