2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine

C50H32N2OS — CID 170410775

IUPAC2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)c(N(c2ccccc2)c2ccc4c(c2)sc2ccccc24)cc2ccccc23)cc1
InChIInChI=1S/C50H32N2OS/c1-3-14-34(15-4-1)51(37-24-27-42-41-19-9-11-21-47(41)53-48(42)31-37)36-23-26-40-39-18-8-7-13-33(39)29-46(45(40)30-36)52(35-16-5-2-6-17-35)38-25-28-44-43-20-10-12-22-49(43)54-50(44)32-38/h1-32H
InChIKeyOPEYTFQCYFWXFG-UHFFFAOYSA-N
MW708.89 g/mol
LogP15.20
Rot. Bonds6

About 2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine

2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine (PubChem CID 170410775) has the molecular formula C50H32N2OS and a molecular weight of 708.89 g/mol. Its IUPAC name is 2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine.

Molecular Properties

Compound Name2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine
PubChem CID170410775
Molecular FormulaC50H32N2OS
Molecular Weight708.89 g/mol
Exact Mass708.22
IUPAC Name2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)c(N(c2ccccc2)c2ccc4c(c2)sc2ccccc24)cc2ccccc23)cc1
InChIInChI=1S/C50H32N2OS/c1-3-14-34(15-4-1)51(37-24-27-42-41-19-9-11-21-47(41)53-48(42)31-37)36-23-26-40-39-18-8-7-13-33(39)29-46(45(40)30-36)52(35-16-5-2-6-17-35)38-25-28-44-43-20-10-12-22-49(43)54-50(44)32-38/h1-32H
InChIKeyOPEYTFQCYFWXFG-UHFFFAOYSA-N
XLogP15.20
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.89
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine
CID 167208628
7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine
CID 166917120
N-(4-chrysen-2-ylphenyl)-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 170137660
3-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-4-methyl-3-N,10-N-diphenylphenanthrene-3,10-diamine
CID 170284022
N-dibenzothiophen-3-yl-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170779092
3-N-dibenzofuran-3-yl-1-N-dibenzothiophen-2-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;3-N-dibenzothiophen-2-yl-1-N-dibenzothiophen-3-yl-1-N,3-N,8-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine
CID 160969253
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
7-N-dibenzofuran-2-yl-19-N-dibenzothiophen-2-yl-7-N,19-N-diphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 146694397
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
1-N-dibenzothiophen-3-yl-1-N,8-N,8-N-triphenyldibenzofuran-1,8-diamine
CID 146573630
N-chrysen-3-yl-N-dibenzothiophen-2-yldibenzofuran-3-amine
CID 170137144

Frequently Asked Questions

What is the IUPAC name of 2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine?
The IUPAC name of 2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine (CID 170410775) is 2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine.
What is the SMILES notation for 2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine?
The canonical SMILES for 2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine is c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)c(N(c2ccccc2)c2ccc4c(c2)sc2ccccc24)cc2ccccc23)cc1.
What is the InChIKey of 2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine?
The InChIKey is OPEYTFQCYFWXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2OS/c1-3-14-34(15-4-1)51(37-24-27-42-41-19-9-11-21-47(41)53-48(42)31-37)36-23-26-40-39-18-8-7-13-33(39)29-46(45(40)30-36)52(35-16-5-2-6-17-35)38-25-28-44-43-20-10-12-22-49(43)54-50(44)32-38/h1-32H.
What are the key properties of 2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine?
2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine has a molecular weight of 708.89 g/mol, XLogP of 15.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine is sourced from PubChem (CID 170410775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).