N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzothiophen-4-amine

C44H29NS — CID 155304688

IUPACN-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzothiophen-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3cc4ccccc4c4ccccc34)c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C44H29NS/c1-3-14-30(15-4-1)33-26-34(31-16-5-2-6-17-31)28-35(27-33)45(41-24-13-23-40-39-22-11-12-25-43(39)46-44(40)41)42-29-32-18-7-8-19-36(32)37-20-9-10-21-38(37)42/h1-29H
InChIKeyDCFPBPNBRBZSQV-UHFFFAOYSA-N
MW603.79 g/mol
LogP13.16
Rot. Bonds5

About N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzothiophen-4-amine

N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzothiophen-4-amine (PubChem CID 155304688) has the molecular formula C44H29NS and a molecular weight of 603.79 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzothiophen-4-amine
PubChem CID155304688
Molecular FormulaC44H29NS
Molecular Weight603.79 g/mol
Exact Mass603.20
IUPAC NameN-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzothiophen-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3cc4ccccc4c4ccccc34)c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C44H29NS/c1-3-14-30(15-4-1)33-26-34(31-16-5-2-6-17-31)28-35(27-33)45(41-24-13-23-40-39-22-11-12-25-43(39)46-44(40)41)42-29-32-18-7-8-19-36(32)37-20-9-10-21-38(37)42/h1-29H
InChIKeyDCFPBPNBRBZSQV-UHFFFAOYSA-N
XLogP13.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.79
LogP ≤ 513.16
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-dibenzothiophen-4-yl-N-[4-[4-[di(dibenzothiophen-4-yl)amino]phenyl]phenyl]dibenzothiophen-4-amine;N-[4-[4-[dibenzothiophen-2-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzothiophen-2-amine;N-[4-[4-[dibenzothiophen-4-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzothiophen-4-amine;N-[4-[4-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-di(dibenzothiophen-2-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 158061684
N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155305678
N,N-bis(3-dibenzothiophen-4-ylphenyl)phenanthren-9-amine;N,N-bis(3-dibenzothiophen-4-ylphenyl)-3-(4-phenylphenyl)aniline;2-dibenzothiophen-4-yl-N-(2-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159307447
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-(2-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155305049
N-(4-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-4-amine
CID 169007439
N-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
CID 155133247
N-dibenzothiophen-4-yl-N-(4-phenanthren-2-ylphenyl)dibenzothiophen-4-amine
CID 138718885
N-(3,5-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
CID 155303560
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine;N-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine
CID 160550206
N-benzo[c]phenanthren-5-yl-N-phenyldibenzothiophen-4-amine
CID 167184430
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566107

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzothiophen-4-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzothiophen-4-amine (CID 155304688) is N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzothiophen-4-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzothiophen-4-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzothiophen-4-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3cc4ccccc4c4ccccc34)c3cccc4c3sc3ccccc34)c2)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzothiophen-4-amine?
The InChIKey is DCFPBPNBRBZSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NS/c1-3-14-30(15-4-1)33-26-34(31-16-5-2-6-17-31)28-35(27-33)45(41-24-13-23-40-39-22-11-12-25-43(39)46-44(40)41)42-29-32-18-7-8-19-36(32)37-20-9-10-21-38(37)42/h1-29H.
What are the key properties of N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzothiophen-4-amine?
N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzothiophen-4-amine has a molecular weight of 603.79 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzothiophen-4-amine is sourced from PubChem (CID 155304688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).