N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine

C146H95N3S3 — CID 163818841

IUPACN-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc5c(c4)sc4ccccc45)cc3)cccc2c1.c1ccc2cc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc5c(c4)sc4ccccc45)cc3)ccc2c1
InChIInChI=1S/C50H33NS.2C48H31NS/c1-2-12-34(13-3-1)41-15-6-7-16-42(41)35-22-26-38(27-23-35)51(40-30-31-47-46-20-10-11-21-49(46)52-50(47)33-40)39-28-24-36(25-29-39)48-32-37-14-4-5-17-43(37)44-18-8-9-19-45(44)48;1-3-13-39-32(10-1)12-9-18-40(39)33-20-24-36(25-21-33)49(38-28-29-45-44-17-7-8-19-47(44)50-48(45)31-38)37-26-22-34(23-27-37)46-30-35-11-2-4-14-41(35)42-15-5-6-16-43(42)46;1-2-10-35-29-36(18-17-32(35)9-1)33-19-23-38(24-20-33)49(40-27-28-45-44-15-7-8-16-47(44)50-48(45)31-40)39-25-21-34(22-26-39)46-30-37-11-3-4-12-41(37)42-13-5-6-14-43(42)46/h1-33H;2*1-31H
InChIKeyNTRFLJDHCABAJL-UHFFFAOYSA-N
MW1987.59 g/mol
LogP43.47
Rot. Bonds16

About N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine

N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine (PubChem CID 163818841) has the molecular formula C146H95N3S3 and a molecular weight of 1987.59 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
PubChem CID163818841
Molecular FormulaC146H95N3S3
Molecular Weight1987.59 g/mol
Exact Mass1985.67
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc5c(c4)sc4ccccc45)cc3)cccc2c1.c1ccc2cc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc5c(c4)sc4ccccc45)cc3)ccc2c1
InChIInChI=1S/C50H33NS.2C48H31NS/c1-2-12-34(13-3-1)41-15-6-7-16-42(41)35-22-26-38(27-23-35)51(40-30-31-47-46-20-10-11-21-49(46)52-50(47)33-40)39-28-24-36(25-29-39)48-32-37-14-4-5-17-43(37)44-18-8-9-19-45(44)48;1-3-13-39-32(10-1)12-9-18-40(39)33-20-24-36(25-21-33)49(38-28-29-45-44-17-7-8-19-47(44)50-48(45)31-38)37-26-22-34(23-27-37)46-30-35-11-2-4-14-41(35)42-15-5-6-16-43(42)46;1-2-10-35-29-36(18-17-32(35)9-1)33-19-23-38(24-20-33)49(40-27-28-45-44-15-7-8-16-47(44)50-48(45)31-40)39-25-21-34(22-26-39)46-30-37-11-3-4-12-41(37)42-13-5-6-14-43(42)46/h1-33H;2*1-31H
InChIKeyNTRFLJDHCABAJL-UHFFFAOYSA-N
XLogP43.47
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001987.59
LogP ≤ 543.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine with MolForge

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 139355163
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine
CID 163990903
N-chrysen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 170130743
N-(4-dibenzothiophen-3-ylphenyl)-3-naphthalen-2-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 166566706
N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 170137061
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
N-(3-dibenzothiophen-4-yl-4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-2-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 161177899
N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-2-amine
CID 162060170
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235827
N-phenanthren-3-yl-N-(4-phenanthren-1-ylphenyl)dibenzothiophen-3-amine
CID 168809970
N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167234946
N-(4-naphthalen-2-ylphenyl)-N-(3-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine
CID 169007183

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine (CID 163818841) is N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc5c(c4)sc4ccccc45)cc3)cccc2c1.c1ccc2cc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc5c(c4)sc4ccccc45)cc3)ccc2c1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The InChIKey is NTRFLJDHCABAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NS.2C48H31NS/c1-2-12-34(13-3-1)41-15-6-7-16-42(41)35-22-26-38(27-23-35)51(40-30-31-47-46-20-10-11-21-49(46)52-50(47)33-40)39-28-24-36(25-29-39)48-32-37-14-4-5-17-43(37)44-18-8-9-19-45(44)48;1-3-13-39-32(10-1)12-9-18-40(39)33-20-24-36(25-21-33)49(38-28-29-45-44-17-7-8-19-47(44)50-48(45)31-38)37-26-22-34(23-27-37)46-30-35-11-2-4-14-41(35)42-15-5-6-16-43(42)46;1-2-10-35-29-36(18-17-32(35)9-1)33-19-23-38(24-20-33)49(40-27-28-45-44-15-7-8-16-47(44)50-48(45)31-40)39-25-21-34(22-26-39)46-30-37-11-3-4-12-41(37)42-13-5-6-14-43(42)46/h1-33H;2*1-31H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine?
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine has a molecular weight of 1987.59 g/mol, XLogP of 43.47, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 163818841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).