N-dibenzothiophen-4-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine

C44H27NOS — CID 155304303

IUPACN-dibenzothiophen-4-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2c(N(c3cccc4c3oc3ccccc34)c3cccc4c3sc3ccccc34)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C44H27NOS/c1-2-14-28(15-3-1)41-33-20-6-4-16-29(33)30-17-5-7-21-34(30)42(41)45(37-24-12-22-35-31-18-8-10-26-39(31)46-43(35)37)38-25-13-23-36-32-19-9-11-27-40(32)47-44(36)38/h1-27H
InChIKeyVJGMGCJSFYDHJP-UHFFFAOYSA-N
MW617.77 g/mol
LogP13.40
Rot. Bonds4

About N-dibenzothiophen-4-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine

N-dibenzothiophen-4-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine (PubChem CID 155304303) has the molecular formula C44H27NOS and a molecular weight of 617.77 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine
PubChem CID155304303
Molecular FormulaC44H27NOS
Molecular Weight617.77 g/mol
Exact Mass617.18
IUPAC NameN-dibenzothiophen-4-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2c(N(c3cccc4c3oc3ccccc34)c3cccc4c3sc3ccccc34)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C44H27NOS/c1-2-14-28(15-3-1)41-33-20-6-4-16-29(33)30-17-5-7-21-34(30)42(41)45(37-24-12-22-35-31-18-8-10-26-39(31)46-43(35)37)38-25-13-23-36-32-19-9-11-27-40(32)47-44(36)38/h1-27H
InChIKeyVJGMGCJSFYDHJP-UHFFFAOYSA-N
XLogP13.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.77
LogP ≤ 513.40
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-dibenzofuran-1-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine
CID 155303746
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-phenylphenyl)naphtho[3,2-b][1]benzothiole-6,11-diamine
CID 130387492
N-dibenzothiophen-4-yl-N-[2-[2-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086567
N-naphthalen-1-yl-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 171435103
N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine
CID 155303419
N-dibenzofuran-4-yl-N-dibenzothiophen-4-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 165004836
N-(2-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172502800
N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine
CID 130464753
N-(2-dibenzofuran-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168788865
N-naphtho[1,2-b][1]benzothiol-5-yl-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 90263491
N-dibenzothiophen-4-yl-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 166566035

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine (CID 155304303) is N-dibenzothiophen-4-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine is c1ccc(-c2c(N(c3cccc4c3oc3ccccc34)c3cccc4c3sc3ccccc34)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine?
The InChIKey is VJGMGCJSFYDHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NOS/c1-2-14-28(15-3-1)41-33-20-6-4-16-29(33)30-17-5-7-21-34(30)42(41)45(37-24-12-22-35-31-18-8-10-26-39(31)46-43(35)37)38-25-13-23-36-32-19-9-11-27-40(32)47-44(36)38/h1-27H.
What are the key properties of N-dibenzothiophen-4-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine?
N-dibenzothiophen-4-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine has a molecular weight of 617.77 g/mol, XLogP of 13.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine is sourced from PubChem (CID 155304303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).