N-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine

C171H114N4S4 — CID 164957080

IUPACN-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESCc1ccccc1N(c1ccc2ccccc2c1-c1cccc2ccccc12)c1cccc2c1sc1ccccc12.c1ccc(-c2ccc(N(c3ccc4ccccc4c3-c3cccc4ccccc34)c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2cccc(N(c3ccc4ccccc4c3-c3cccc4ccccc34)c3cccc4c3sc3ccccc34)c2)cc1.c1ccc(-c2ccccc2N(c2ccc3ccccc3c2-c2cccc3ccccc23)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/3C44H29NS.C39H27NS/c1-2-14-31(15-3-1)34-20-8-10-25-39(34)45(41-26-13-24-38-36-22-9-11-27-42(36)46-44(38)41)40-29-28-32-17-5-7-21-35(32)43(40)37-23-12-18-30-16-4-6-19-33(30)37;1-2-13-30(14-3-1)33-18-10-19-34(29-33)45(41-25-12-24-39-37-22-8-9-26-42(37)46-44(39)41)40-28-27-32-16-5-7-21-36(32)43(40)38-23-11-17-31-15-4-6-20-35(31)38;1-2-12-30(13-3-1)31-24-27-34(28-25-31)45(41-22-11-21-39-37-19-8-9-23-42(37)46-44(39)41)40-29-26-33-15-5-7-18-36(33)43(40)38-20-10-16-32-14-4-6-17-35(32)38;1-26-12-2-8-21-34(26)40(36-22-11-20-33-31-18-7-9-23-37(31)41-39(33)36)35-25-24-28-14-4-6-17-30(28)38(35)32-19-10-15-27-13-3-5-16-29(27)32/h3*1-29H;2-25H,1H3
InChIKeyBHZPCLPYXZFIFD-UHFFFAOYSA-N
MW2353.09 g/mol
LogP51.30
Rot. Bonds19

About N-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine

N-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine (PubChem CID 164957080) has the molecular formula C171H114N4S4 and a molecular weight of 2353.09 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
PubChem CID164957080
Molecular FormulaC171H114N4S4
Molecular Weight2353.09 g/mol
Exact Mass2350.79
IUPAC NameN-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
SMILESCc1ccccc1N(c1ccc2ccccc2c1-c1cccc2ccccc12)c1cccc2c1sc1ccccc12.c1ccc(-c2ccc(N(c3ccc4ccccc4c3-c3cccc4ccccc34)c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2cccc(N(c3ccc4ccccc4c3-c3cccc4ccccc34)c3cccc4c3sc3ccccc34)c2)cc1.c1ccc(-c2ccccc2N(c2ccc3ccccc3c2-c2cccc3ccccc23)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/3C44H29NS.C39H27NS/c1-2-14-31(15-3-1)34-20-8-10-25-39(34)45(41-26-13-24-38-36-22-9-11-27-42(36)46-44(38)41)40-29-28-32-17-5-7-21-35(32)43(40)37-23-12-18-30-16-4-6-19-33(30)37;1-2-13-30(14-3-1)33-18-10-19-34(29-33)45(41-25-12-24-39-37-22-8-9-26-42(37)46-44(39)41)40-28-27-32-16-5-7-21-36(32)43(40)38-23-11-17-31-15-4-6-20-35(31)38;1-2-12-30(13-3-1)31-24-27-34(28-25-31)45(41-22-11-21-39-37-19-8-9-23-42(37)46-44(39)41)40-29-26-33-15-5-7-18-36(33)43(40)38-20-10-16-32-14-4-6-17-35(32)38;1-26-12-2-8-21-34(26)40(36-22-11-20-33-31-18-7-9-23-37(31)41-39(33)36)35-25-24-28-14-4-6-17-30(28)38(35)32-19-10-15-27-13-3-5-16-29(27)32/h3*1-29H;2-25H,1H3
InChIKeyBHZPCLPYXZFIFD-UHFFFAOYSA-N
XLogP51.30
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms179
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002353.09
LogP ≤ 551.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine with MolForge

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Related Compounds

1-naphthalen-1-yl-N,N-bis(2-phenylphenyl)naphthalen-2-amine;1-naphthalen-1-yl-N,N-bis(3-phenylphenyl)naphthalen-2-amine;1-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine;1-naphthalen-1-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 164980221
N-[2-[2-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 167086408
N-[2-[2-[N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167086407
N-[2-[3-[N-(3-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167087052
N-[4-(8-phenylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 176590511
N-(4-phenylnaphthalen-1-yl)-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine;N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 158866237
N-[3-[3-[dibenzothiophen-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086636
N-phenyl-N-[1-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]dibenzothiophen-4-amine
CID 166008457
N-[3-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086291
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172502003
N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172500806
N-(4-naphthalen-1-ylphenyl)-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605660

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine (CID 164957080) is N-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine is Cc1ccccc1N(c1ccc2ccccc2c1-c1cccc2ccccc12)c1cccc2c1sc1ccccc12.c1ccc(-c2ccc(N(c3ccc4ccccc4c3-c3cccc4ccccc34)c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2cccc(N(c3ccc4ccccc4c3-c3cccc4ccccc34)c3cccc4c3sc3ccccc34)c2)cc1.c1ccc(-c2ccccc2N(c2ccc3ccccc3c2-c2cccc3ccccc23)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
The InChIKey is BHZPCLPYXZFIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C44H29NS.C39H27NS/c1-2-14-31(15-3-1)34-20-8-10-25-39(34)45(41-26-13-24-38-36-22-9-11-27-42(36)46-44(38)41)40-29-28-32-17-5-7-21-35(32)43(40)37-23-12-18-30-16-4-6-19-33(30)37;1-2-13-30(14-3-1)33-18-10-19-34(29-33)45(41-25-12-24-39-37-22-8-9-26-42(37)46-44(39)41)40-28-27-32-16-5-7-21-36(32)43(40)38-23-11-17-31-15-4-6-20-35(31)38;1-2-12-30(13-3-1)31-24-27-34(28-25-31)45(41-22-11-21-39-37-19-8-9-23-42(37)46-44(39)41)40-29-26-33-15-5-7-18-36(33)43(40)38-20-10-16-32-14-4-6-17-35(32)38;1-26-12-2-8-21-34(26)40(36-22-11-20-33-31-18-7-9-23-37(31)41-39(33)36)35-25-24-28-14-4-6-17-30(28)38(35)32-19-10-15-27-13-3-5-16-29(27)32/h3*1-29H;2-25H,1H3.
What are the key properties of N-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine?
N-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine has a molecular weight of 2353.09 g/mol, XLogP of 51.30, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine;N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 164957080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).