N-dibenzothiophen-3-yl-N-(4-phenanthren-2-yl-2,5-diphenylphenyl)dibenzofuran-3-amine

C56H35NOS — CID 170065793

IUPACN-dibenzothiophen-3-yl-N-(4-phenanthren-2-yl-2,5-diphenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3ccccc34)c(-c3ccccc3)cc2-c2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/C56H35NOS/c1-3-13-36(14-4-1)50-35-52(51(37-15-5-2-6-16-37)34-49(50)40-25-28-44-39(31-40)24-23-38-17-7-8-18-43(38)44)57(41-26-29-46-45-19-9-11-21-53(45)58-54(46)32-41)42-27-30-48-47-20-10-12-22-55(47)59-56(48)33-42/h1-35H
InChIKeyXWHJQYCSNFEQQQ-UHFFFAOYSA-N
MW769.97 g/mol
LogP16.73
Rot. Bonds6

About N-dibenzothiophen-3-yl-N-(4-phenanthren-2-yl-2,5-diphenylphenyl)dibenzofuran-3-amine

N-dibenzothiophen-3-yl-N-(4-phenanthren-2-yl-2,5-diphenylphenyl)dibenzofuran-3-amine (PubChem CID 170065793) has the molecular formula C56H35NOS and a molecular weight of 769.97 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-(4-phenanthren-2-yl-2,5-diphenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-(4-phenanthren-2-yl-2,5-diphenylphenyl)dibenzofuran-3-amine
PubChem CID170065793
Molecular FormulaC56H35NOS
Molecular Weight769.97 g/mol
Exact Mass769.24
IUPAC NameN-dibenzothiophen-3-yl-N-(4-phenanthren-2-yl-2,5-diphenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3ccccc34)c(-c3ccccc3)cc2-c2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/C56H35NOS/c1-3-13-36(14-4-1)50-35-52(51(37-15-5-2-6-16-37)34-49(50)40-25-28-44-39(31-40)24-23-38-17-7-8-18-43(38)44)57(41-26-29-46-45-19-9-11-21-53(45)58-54(46)32-41)42-27-30-48-47-20-10-12-22-55(47)59-56(48)33-42/h1-35H
InChIKeyXWHJQYCSNFEQQQ-UHFFFAOYSA-N
XLogP16.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.97
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-dibenzothiophen-3-yl-N-(4-phenanthren-9-yl-2,5-diphenylphenyl)dibenzofuran-3-amine
CID 170065728
N-(4-chrysen-2-ylphenyl)-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 170137660
N-dibenzothiophen-3-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine;N-(2-phenyldibenzothiophen-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-4-(4-phenylphenyl)aniline;4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 163873163
N-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167234545
N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167235675
N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-3-amine;N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 160677532
N-(2-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326184
N-dibenzofuran-3-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 161336699
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-2-yldibenzofuran-3-amine
CID 163485828
N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine
CID 161049326
N-(2-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167326441
N-(4-phenanthren-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167234946

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-(4-phenanthren-2-yl-2,5-diphenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-(4-phenanthren-2-yl-2,5-diphenylphenyl)dibenzofuran-3-amine (CID 170065793) is N-dibenzothiophen-3-yl-N-(4-phenanthren-2-yl-2,5-diphenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-(4-phenanthren-2-yl-2,5-diphenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-(4-phenanthren-2-yl-2,5-diphenylphenyl)dibenzofuran-3-amine is c1ccc(-c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3ccccc34)c(-c3ccccc3)cc2-c2ccc3c(ccc4ccccc43)c2)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-(4-phenanthren-2-yl-2,5-diphenylphenyl)dibenzofuran-3-amine?
The InChIKey is XWHJQYCSNFEQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NOS/c1-3-13-36(14-4-1)50-35-52(51(37-15-5-2-6-16-37)34-49(50)40-25-28-44-39(31-40)24-23-38-17-7-8-18-43(38)44)57(41-26-29-46-45-19-9-11-21-53(45)58-54(46)32-41)42-27-30-48-47-20-10-12-22-55(47)59-56(48)33-42/h1-35H.
What are the key properties of N-dibenzothiophen-3-yl-N-(4-phenanthren-2-yl-2,5-diphenylphenyl)dibenzofuran-3-amine?
N-dibenzothiophen-3-yl-N-(4-phenanthren-2-yl-2,5-diphenylphenyl)dibenzofuran-3-amine has a molecular weight of 769.97 g/mol, XLogP of 16.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-(4-phenanthren-2-yl-2,5-diphenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 170065793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).