N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-3-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-4-amine

C160H100N4S4 — CID 158475347

IUPACN,N-di(phenanthren-9-yl)dibenzothiophen-1-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-3-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-4-amine
SMILESc1ccc2c(c1)cc(N(c1cc3ccccc3c3ccccc13)c1cccc3c1sc1ccccc13)c1ccccc12.c1ccc2c(c1)cc(N(c1cc3ccccc3c3ccccc13)c1cccc3sc4ccccc4c13)c1ccccc12.c1ccc2c(c1)cc(N(c1ccc3c(c1)sc1ccccc13)c1cc3ccccc3c3ccccc13)c1ccccc12.c1ccc2c(c1)cc(N(c1ccc3sc4ccccc4c3c1)c1cc3ccccc3c3ccccc13)c1ccccc12
InChIInChI=1S/4C40H25NS/c1-3-14-28-26(12-1)24-37(32-18-7-5-16-30(28)32)41(36-22-11-21-35-34-20-9-10-23-39(34)42-40(35)36)38-25-27-13-2-4-15-29(27)31-17-6-8-19-33(31)38;1-3-14-28-26(12-1)24-36(32-18-7-5-16-30(28)32)41(35-21-11-23-39-40(35)34-20-9-10-22-38(34)42-39)37-25-27-13-2-4-15-29(27)31-17-6-8-19-33(31)37;1-3-13-29-26(11-1)23-37(33-17-7-5-15-31(29)33)41(28-21-22-40-36(25-28)35-19-9-10-20-39(35)42-40)38-24-27-12-2-4-14-30(27)32-16-6-8-18-34(32)38;1-3-13-29-26(11-1)23-37(33-17-7-5-15-31(29)33)41(28-21-22-36-35-19-9-10-20-39(35)42-40(36)25-28)38-24-27-12-2-4-14-30(27)32-16-6-8-18-34(32)38/h4*1-25H
InChIKeyHGWBQQQNDPEZOO-UHFFFAOYSA-N
MW2206.86 g/mol
LogP48.55
Rot. Bonds12

About N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-3-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-4-amine

N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-3-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-4-amine (PubChem CID 158475347) has the molecular formula C160H100N4S4 and a molecular weight of 2206.86 g/mol. Its IUPAC name is N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-3-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN,N-di(phenanthren-9-yl)dibenzothiophen-1-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-3-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-4-amine
PubChem CID158475347
Molecular FormulaC160H100N4S4
Molecular Weight2206.86 g/mol
Exact Mass2204.68
IUPAC NameN,N-di(phenanthren-9-yl)dibenzothiophen-1-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-3-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-4-amine
SMILESc1ccc2c(c1)cc(N(c1cc3ccccc3c3ccccc13)c1cccc3c1sc1ccccc13)c1ccccc12.c1ccc2c(c1)cc(N(c1cc3ccccc3c3ccccc13)c1cccc3sc4ccccc4c13)c1ccccc12.c1ccc2c(c1)cc(N(c1ccc3c(c1)sc1ccccc13)c1cc3ccccc3c3ccccc13)c1ccccc12.c1ccc2c(c1)cc(N(c1ccc3sc4ccccc4c3c1)c1cc3ccccc3c3ccccc13)c1ccccc12
InChIInChI=1S/4C40H25NS/c1-3-14-28-26(12-1)24-37(32-18-7-5-16-30(28)32)41(36-22-11-21-35-34-20-9-10-23-39(34)42-40(35)36)38-25-27-13-2-4-15-29(27)31-17-6-8-19-33(31)38;1-3-14-28-26(12-1)24-36(32-18-7-5-16-30(28)32)41(35-21-11-23-39-40(35)34-20-9-10-22-38(34)42-39)37-25-27-13-2-4-15-29(27)31-17-6-8-19-33(31)37;1-3-13-29-26(11-1)23-37(33-17-7-5-15-31(29)33)41(28-21-22-40-36(25-28)35-19-9-10-20-39(35)42-40)38-24-27-12-2-4-14-30(27)32-16-6-8-18-34(32)38;1-3-13-29-26(11-1)23-37(33-17-7-5-15-31(29)33)41(28-21-22-36-35-19-9-10-20-39(35)42-40(36)25-28)38-24-27-12-2-4-14-30(27)32-16-6-8-18-34(32)38/h4*1-25H
InChIKeyHGWBQQQNDPEZOO-UHFFFAOYSA-N
XLogP48.55
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002206.86
LogP ≤ 548.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-3-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-4-amine with MolForge

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Related Compounds

N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine
CID 129118387
7-N-dibenzothiophen-1-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-phenanthren-2-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 159620715
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
2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine
CID 161330703
N-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine
CID 167396471
N-dibenzothiophen-2-yl-N-phenanthren-9-yl-1-phenyldibenzothiophen-4-amine
CID 171435211
N-chrysen-4-yl-N-dibenzothiophen-2-yldibenzothiophen-3-amine
CID 170137930
N-dibenzothiophen-2-yl-N-phenanthren-9-yl-3-phenyldibenzothiophen-4-amine
CID 171434472
N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzothiophen-4-amine
CID 155304688
N-dibenzothiophen-4-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine
CID 170040173
N-chrysen-2-yl-N-phenyldibenzothiophen-4-amine
CID 170130330
1-N,1-N,3-N-triphenyl-3-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[9-(N-phenylanilino)dibenzothiophen-4-yl]dibenzothiophene-1,3-diamine;1-N,3-N,3-N-triphenyl-1-N-[8-(N-phenylanilino)dibenzothiophen-1-yl]dibenzothiophene-1,3-diamine
CID 163676818

Frequently Asked Questions

What is the IUPAC name of N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-3-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-4-amine?
The IUPAC name of N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-3-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-4-amine (CID 158475347) is N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-3-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-4-amine.
What is the SMILES notation for N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-3-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-4-amine?
The canonical SMILES for N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-3-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-4-amine is c1ccc2c(c1)cc(N(c1cc3ccccc3c3ccccc13)c1cccc3c1sc1ccccc13)c1ccccc12.c1ccc2c(c1)cc(N(c1cc3ccccc3c3ccccc13)c1cccc3sc4ccccc4c13)c1ccccc12.c1ccc2c(c1)cc(N(c1ccc3c(c1)sc1ccccc13)c1cc3ccccc3c3ccccc13)c1ccccc12.c1ccc2c(c1)cc(N(c1ccc3sc4ccccc4c3c1)c1cc3ccccc3c3ccccc13)c1ccccc12.
What is the InChIKey of N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-3-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-4-amine?
The InChIKey is HGWBQQQNDPEZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C40H25NS/c1-3-14-28-26(12-1)24-37(32-18-7-5-16-30(28)32)41(36-22-11-21-35-34-20-9-10-23-39(34)42-40(35)36)38-25-27-13-2-4-15-29(27)31-17-6-8-19-33(31)38;1-3-14-28-26(12-1)24-36(32-18-7-5-16-30(28)32)41(35-21-11-23-39-40(35)34-20-9-10-22-38(34)42-39)37-25-27-13-2-4-15-29(27)31-17-6-8-19-33(31)37;1-3-13-29-26(11-1)23-37(33-17-7-5-15-31(29)33)41(28-21-22-40-36(25-28)35-19-9-10-20-39(35)42-40)38-24-27-12-2-4-14-30(27)32-16-6-8-18-34(32)38;1-3-13-29-26(11-1)23-37(33-17-7-5-15-31(29)33)41(28-21-22-36-35-19-9-10-20-39(35)42-40(36)25-28)38-24-27-12-2-4-14-30(27)32-16-6-8-18-34(32)38/h4*1-25H.
What are the key properties of N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-3-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-4-amine?
N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-3-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-4-amine has a molecular weight of 2206.86 g/mol, XLogP of 48.55, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-2-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-3-amine;N,N-di(phenanthren-9-yl)dibenzothiophen-4-amine is sourced from PubChem (CID 158475347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).