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

C135H86N6O4S — CID 161492434

IUPACN-dibenzofuran-1-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5ccc6nc(-c7ccccc7)oc6c54)c3)cc2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccc7sc8ccccc8c7c6)c6ccccc6-c6ccccc6)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccccc6-c6ccccc6)c6cccc7oc8ccccc8c67)cc5c4c3o2)cc1
InChIInChI=1S/C45H28N2O2.C45H28N2OS.C45H30N2O/c1-3-12-29(13-4-1)34-16-7-9-18-38(34)47(39-19-11-21-41-43(39)35-17-8-10-20-40(35)48-41)33-26-24-30-22-23-31-25-27-37-44(42(31)36(30)28-33)49-45(46-37)32-14-5-2-6-15-32;1-3-11-29(12-4-1)35-15-7-9-17-40(35)47(34-24-26-42-38(28-34)36-16-8-10-18-41(36)49-42)33-23-21-30-19-20-31-22-25-39-44(43(31)37(30)27-33)48-45(46-39)32-13-5-2-6-14-32;1-4-10-31(11-5-1)33-18-23-38(24-19-33)47(39-25-20-34(21-26-39)32-12-6-2-7-13-32)40-27-28-41-37(30-40)17-16-35-22-29-42-44(43(35)41)48-45(46-42)36-14-8-3-9-15-36/h2*1-28H;1-30H
InChIKeyWFUGLEVHKQNUFI-UHFFFAOYSA-N
MW1888.28 g/mol
LogP38.75
Rot. Bonds16

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

N-dibenzofuran-1-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine (PubChem CID 161492434) has the molecular formula C135H86N6O4S and a molecular weight of 1888.28 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine
PubChem CID161492434
Molecular FormulaC135H86N6O4S
Molecular Weight1888.28 g/mol
Exact Mass1886.64
IUPAC NameN-dibenzofuran-1-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5ccc6nc(-c7ccccc7)oc6c54)c3)cc2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccc7sc8ccccc8c7c6)c6ccccc6-c6ccccc6)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccccc6-c6ccccc6)c6cccc7oc8ccccc8c67)cc5c4c3o2)cc1
InChIInChI=1S/C45H28N2O2.C45H28N2OS.C45H30N2O/c1-3-12-29(13-4-1)34-16-7-9-18-38(34)47(39-19-11-21-41-43(39)35-17-8-10-20-40(35)48-41)33-26-24-30-22-23-31-25-27-37-44(42(31)36(30)28-33)49-45(46-37)32-14-5-2-6-15-32;1-3-11-29(12-4-1)35-15-7-9-17-40(35)47(34-24-26-42-38(28-34)36-16-8-10-18-41(36)49-42)33-23-21-30-19-20-31-22-25-39-44(43(31)37(30)27-33)48-45(46-39)32-13-5-2-6-14-32;1-4-10-31(11-5-1)33-18-23-38(24-19-33)47(39-25-20-34(21-26-39)32-12-6-2-7-13-32)40-27-28-41-37(30-40)17-16-35-22-29-42-44(43(35)41)48-45(46-42)36-14-8-3-9-15-36/h2*1-28H;1-30H
InChIKeyWFUGLEVHKQNUFI-UHFFFAOYSA-N
XLogP38.75
TPSA100.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001888.28
LogP ≤ 538.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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

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Related Compounds

N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473792
N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-phenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-1-amine;N-phenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-4-amine
CID 163893650
N-(3-dibenzothiophen-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 174324049
N-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 176851617
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 162702037
N-dibenzofuran-2-yl-N-naphthalen-1-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-3-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;2-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 158718428
N-[3-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176877839
N-(2-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 174319667
N-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112795
1-N-phenyl-1-N-[4-(N-phenylanilino)phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)-3-N-[2-(2-phenylphenyl)phenyl]benzene-1,3-diamine
CID 171417037
N-dibenzothiophen-2-yl-N-(3,4-diphenylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 176851461
N-dibenzothiophen-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473862

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine?
The IUPAC name of N-dibenzofuran-1-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine (CID 161492434) is N-dibenzofuran-1-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine?
The canonical SMILES for N-dibenzofuran-1-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5ccc6nc(-c7ccccc7)oc6c54)c3)cc2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccc7sc8ccccc8c7c6)c6ccccc6-c6ccccc6)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccccc6-c6ccccc6)c6cccc7oc8ccccc8c67)cc5c4c3o2)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine?
The InChIKey is WFUGLEVHKQNUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2O2.C45H28N2OS.C45H30N2O/c1-3-12-29(13-4-1)34-16-7-9-18-38(34)47(39-19-11-21-41-43(39)35-17-8-10-20-40(35)48-41)33-26-24-30-22-23-31-25-27-37-44(42(31)36(30)28-33)49-45(46-37)32-14-5-2-6-15-32;1-3-11-29(12-4-1)35-15-7-9-17-40(35)47(34-24-26-42-38(28-34)36-16-8-10-18-41(36)49-42)33-23-21-30-19-20-31-22-25-39-44(43(31)37(30)27-33)48-45(46-39)32-13-5-2-6-14-32;1-4-10-31(11-5-1)33-18-23-38(24-19-33)47(39-25-20-34(21-26-39)32-12-6-2-7-13-32)40-27-28-41-37(30-40)17-16-35-22-29-42-44(43(35)41)48-45(46-42)36-14-8-3-9-15-36/h2*1-28H;1-30H.
What are the key properties of N-dibenzofuran-1-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine?
N-dibenzofuran-1-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine has a molecular weight of 1888.28 g/mol, XLogP of 38.75, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzothiophen-2-yl-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine is sourced from PubChem (CID 161492434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).