N-(1,9b-dihydrodibenzothiophen-3-yl)-2-phenyl-N-(2-phenylphenyl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-4-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine

C186H120N8O6S2 — CID 158624273

IUPACN-(1,9b-dihydrodibenzothiophen-3-yl)-2-phenyl-N-(2-phenylphenyl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-4-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESC1=C2Sc3ccccc3C2CC=C1N(c1ccc2ccc3ccc4c(c3c2c1)OC(c1ccccc1)N4)c1ccccc1-c1ccccc1.c1ccc(-c2ccc(N(c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)c3cccc4sc5ccccc5c34)cc2)cc1.c1ccc(-c2cccc(-c3ccccc3N(c3ccc4oc5ccccc5c4c3)c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)c2)cc1.c1ccc(-c2cccc(N(c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C51H32N2O2.C45H28N2O2.C45H32N2OS.C45H28N2OS/c1-3-12-33(13-4-1)37-16-11-17-38(30-37)41-18-7-9-20-46(41)53(40-27-29-48-44(32-40)42-19-8-10-21-47(42)54-48)39-26-24-34-22-23-35-25-28-45-50(49(35)43(34)31-39)55-51(52-45)36-14-5-2-6-15-36;1-3-11-29(12-4-1)33-15-9-16-34(27-33)47(40-19-10-18-37-36-17-7-8-20-41(36)48-43(37)40)35-25-23-30-21-22-31-24-26-39-44(42(31)38(30)28-35)49-45(46-39)32-13-5-2-6-14-32;1-3-11-29(12-4-1)35-15-7-9-17-40(35)47(34-24-25-37-36-16-8-10-18-41(36)49-42(37)28-34)33-23-21-30-19-20-31-22-26-39-44(43(31)38(30)27-33)48-45(46-39)32-13-5-2-6-14-32;1-3-10-29(11-4-1)30-20-24-34(25-21-30)47(39-15-9-17-41-43(39)36-14-7-8-16-40(36)49-41)35-26-22-31-18-19-32-23-27-38-44(42(32)37(31)28-35)48-45(46-38)33-12-5-2-6-13-33/h1-32H;1-28H;1-24,26-28,37,45-46H,25H2;1-28H
InChIKeyHYJWJLZNHLSLNR-UHFFFAOYSA-N
MW2627.19 g/mol
LogP53.01
Rot. Bonds21

About N-(1,9b-dihydrodibenzothiophen-3-yl)-2-phenyl-N-(2-phenylphenyl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-4-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine

N-(1,9b-dihydrodibenzothiophen-3-yl)-2-phenyl-N-(2-phenylphenyl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-4-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine (PubChem CID 158624273) has the molecular formula C186H120N8O6S2 and a molecular weight of 2627.19 g/mol. Its IUPAC name is N-(1,9b-dihydrodibenzothiophen-3-yl)-2-phenyl-N-(2-phenylphenyl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-4-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine.

Molecular Properties

Compound NameN-(1,9b-dihydrodibenzothiophen-3-yl)-2-phenyl-N-(2-phenylphenyl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-4-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
PubChem CID158624273
Molecular FormulaC186H120N8O6S2
Molecular Weight2627.19 g/mol
Exact Mass2624.88
IUPAC NameN-(1,9b-dihydrodibenzothiophen-3-yl)-2-phenyl-N-(2-phenylphenyl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-4-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESC1=C2Sc3ccccc3C2CC=C1N(c1ccc2ccc3ccc4c(c3c2c1)OC(c1ccccc1)N4)c1ccccc1-c1ccccc1.c1ccc(-c2ccc(N(c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)c3cccc4sc5ccccc5c34)cc2)cc1.c1ccc(-c2cccc(-c3ccccc3N(c3ccc4oc5ccccc5c4c3)c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)c2)cc1.c1ccc(-c2cccc(N(c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C51H32N2O2.C45H28N2O2.C45H32N2OS.C45H28N2OS/c1-3-12-33(13-4-1)37-16-11-17-38(30-37)41-18-7-9-20-46(41)53(40-27-29-48-44(32-40)42-19-8-10-21-47(42)54-48)39-26-24-34-22-23-35-25-28-45-50(49(35)43(34)31-39)55-51(52-45)36-14-5-2-6-15-36;1-3-11-29(12-4-1)33-15-9-16-34(27-33)47(40-19-10-18-37-36-17-7-8-20-41(36)48-43(37)40)35-25-23-30-21-22-31-24-26-39-44(42(31)38(30)28-35)49-45(46-39)32-13-5-2-6-14-32;1-3-11-29(12-4-1)35-15-7-9-17-40(35)47(34-24-25-37-36-16-8-10-18-41(36)49-42(37)28-34)33-23-21-30-19-20-31-22-26-39-44(43(31)38(30)27-33)48-45(46-39)32-13-5-2-6-14-32;1-3-10-29(11-4-1)30-20-24-34(25-21-30)47(39-15-9-17-41-43(39)36-14-7-8-16-40(36)49-41)35-26-22-31-18-19-32-23-27-38-44(42(32)37(31)28-35)48-45(46-38)33-12-5-2-6-13-33/h1-32H;1-28H;1-24,26-28,37,45-46H,25H2;1-28H
InChIKeyHYJWJLZNHLSLNR-UHFFFAOYSA-N
XLogP53.01
TPSA138.59 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002627.19
LogP ≤ 553.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-(1,9b-dihydrodibenzothiophen-3-yl)-2-phenyl-N-(2-phenylphenyl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-4-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1,9b-dihydrodibenzothiophen-3-yl)-2-phenyl-N-(2-phenylphenyl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-4-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The IUPAC name of N-(1,9b-dihydrodibenzothiophen-3-yl)-2-phenyl-N-(2-phenylphenyl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-4-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine (CID 158624273) is N-(1,9b-dihydrodibenzothiophen-3-yl)-2-phenyl-N-(2-phenylphenyl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-4-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine.
What is the SMILES notation for N-(1,9b-dihydrodibenzothiophen-3-yl)-2-phenyl-N-(2-phenylphenyl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-4-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The canonical SMILES for N-(1,9b-dihydrodibenzothiophen-3-yl)-2-phenyl-N-(2-phenylphenyl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-4-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine is C1=C2Sc3ccccc3C2CC=C1N(c1ccc2ccc3ccc4c(c3c2c1)OC(c1ccccc1)N4)c1ccccc1-c1ccccc1.c1ccc(-c2ccc(N(c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)c3cccc4sc5ccccc5c34)cc2)cc1.c1ccc(-c2cccc(-c3ccccc3N(c3ccc4oc5ccccc5c4c3)c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)c2)cc1.c1ccc(-c2cccc(N(c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of N-(1,9b-dihydrodibenzothiophen-3-yl)-2-phenyl-N-(2-phenylphenyl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-4-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The InChIKey is HYJWJLZNHLSLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O2.C45H28N2O2.C45H32N2OS.C45H28N2OS/c1-3-12-33(13-4-1)37-16-11-17-38(30-37)41-18-7-9-20-46(41)53(40-27-29-48-44(32-40)42-19-8-10-21-47(42)54-48)39-26-24-34-22-23-35-25-28-45-50(49(35)43(34)31-39)55-51(52-45)36-14-5-2-6-15-36;1-3-11-29(12-4-1)33-15-9-16-34(27-33)47(40-19-10-18-37-36-17-7-8-20-41(36)48-43(37)40)35-25-23-30-21-22-31-24-26-39-44(42(31)38(30)28-35)49-45(46-39)32-13-5-2-6-14-32;1-3-11-29(12-4-1)35-15-7-9-17-40(35)47(34-24-25-37-36-16-8-10-18-41(36)49-42(37)28-34)33-23-21-30-19-20-31-22-26-39-44(43(31)38(30)27-33)48-45(46-39)32-13-5-2-6-14-32;1-3-10-29(11-4-1)30-20-24-34(25-21-30)47(39-15-9-17-41-43(39)36-14-7-8-16-40(36)49-41)35-26-22-31-18-19-32-23-27-38-44(42(32)37(31)28-35)48-45(46-38)33-12-5-2-6-13-33/h1-32H;1-28H;1-24,26-28,37,45-46H,25H2;1-28H.
What are the key properties of N-(1,9b-dihydrodibenzothiophen-3-yl)-2-phenyl-N-(2-phenylphenyl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-4-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
N-(1,9b-dihydrodibenzothiophen-3-yl)-2-phenyl-N-(2-phenylphenyl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-4-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine has a molecular weight of 2627.19 g/mol, XLogP of 53.01, 21 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,9b-dihydrodibenzothiophen-3-yl)-2-phenyl-N-(2-phenylphenyl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-4-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine is sourced from PubChem (CID 158624273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).