N-[4-(4-tert-butylphenyl)phenyl]-N-[4-(3,5-dimethylphenyl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-amine;1-N,1-N,3-N-triphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine

C141H99N7O5 — CID 159945246

IUPACN-[4-(4-tert-butylphenyl)phenyl]-N-[4-(3,5-dimethylphenyl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-amine;1-N,1-N,3-N-triphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
SMILESCc1cc(C)cc(-c2ccc(N(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)cc2)c1.c1ccc(-c2nc3ccc4ccc5c(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c(c6)oc6ccccc67)cccc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccccc6)c6cccc(N(c7ccccc7)c7ccccc7)c6)cc5c4c3o2)cc1
InChIInChI=1S/C51H42N2O.C45H31N3O.C45H26N2O3/c1-33-29-34(2)31-41(30-33)37-17-25-44(26-18-37)53(43-23-15-36(16-24-43)35-13-21-42(22-14-35)51(3,4)5)45-27-19-38-11-12-39-20-28-47-49(48(39)46(38)32-45)54-50(52-47)40-9-7-6-8-10-40;1-5-14-34(15-6-1)45-46-42-29-27-33-25-24-32-26-28-40(31-41(32)43(33)44(42)49-45)48(37-20-11-4-12-21-37)39-23-13-22-38(30-39)47(35-16-7-2-8-17-35)36-18-9-3-10-19-36;1-2-9-28(10-3-1)45-46-37-24-18-27-17-21-31-36(43(27)44(37)50-45)13-8-14-38(31)47(29-19-22-34-32-11-4-6-15-39(32)48-41(34)25-29)30-20-23-35-33-12-5-7-16-40(33)49-42(35)26-30/h6-32H,1-5H3;1-31H;1-26H
InChIKeyOBKABPLYMLGSME-UHFFFAOYSA-N
MW1971.39 g/mol
LogP40.33
Rot. Bonds17

About N-[4-(4-tert-butylphenyl)phenyl]-N-[4-(3,5-dimethylphenyl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-amine;1-N,1-N,3-N-triphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine

N-[4-(4-tert-butylphenyl)phenyl]-N-[4-(3,5-dimethylphenyl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-amine;1-N,1-N,3-N-triphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine (PubChem CID 159945246) has the molecular formula C141H99N7O5 and a molecular weight of 1971.39 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)phenyl]-N-[4-(3,5-dimethylphenyl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-amine;1-N,1-N,3-N-triphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)phenyl]-N-[4-(3,5-dimethylphenyl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-amine;1-N,1-N,3-N-triphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
PubChem CID159945246
Molecular FormulaC141H99N7O5
Molecular Weight1971.39 g/mol
Exact Mass1969.77
IUPAC NameN-[4-(4-tert-butylphenyl)phenyl]-N-[4-(3,5-dimethylphenyl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-amine;1-N,1-N,3-N-triphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
SMILESCc1cc(C)cc(-c2ccc(N(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)cc2)c1.c1ccc(-c2nc3ccc4ccc5c(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c(c6)oc6ccccc67)cccc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccccc6)c6cccc(N(c7ccccc7)c7ccccc7)c6)cc5c4c3o2)cc1
InChIInChI=1S/C51H42N2O.C45H31N3O.C45H26N2O3/c1-33-29-34(2)31-41(30-33)37-17-25-44(26-18-37)53(43-23-15-36(16-24-43)35-13-21-42(22-14-35)51(3,4)5)45-27-19-38-11-12-39-20-28-47-49(48(39)46(38)32-45)54-50(52-47)40-9-7-6-8-10-40;1-5-14-34(15-6-1)45-46-42-29-27-33-25-24-32-26-28-40(31-41(32)43(33)44(42)49-45)48(37-20-11-4-12-21-37)39-23-13-22-38(30-39)47(35-16-7-2-8-17-35)36-18-9-3-10-19-36;1-2-9-28(10-3-1)45-46-37-24-18-27-17-21-31-36(43(27)44(37)50-45)13-8-14-38(31)47(29-19-22-34-32-11-4-6-15-39(32)48-41(34)25-29)30-20-23-35-33-12-5-7-16-40(33)49-42(35)26-30/h6-32H,1-5H3;1-31H;1-26H
InChIKeyOBKABPLYMLGSME-UHFFFAOYSA-N
XLogP40.33
TPSA117.33 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001971.39
LogP ≤ 540.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-[4-(4-tert-butylphenyl)phenyl]-N-[4-(3,5-dimethylphenyl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-amine;1-N,1-N,3-N-triphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine with MolForge

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Related Compounds

N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-8-amine;N,N-diphenyl-4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 163590286
N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-17-amine
CID 176631630
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-yl)benzene-1,3-diamine
CID 171416971
N-(4-methylphenyl)-N-[2-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-3-amine
CID 176877772
N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473792
N,N-di(dibenzofuran-2-yl)-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-17-amine
CID 176631324
N-(4-methylphenyl)-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-2-amine
CID 170244607
1-N-[3-(N-naphthalen-1-ylanilino)phenyl]-1-N,3-N-diphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171417056
N-dibenzofuran-2-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 168742999
N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 176851647
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 176877752
N-dibenzofuran-2-yl-N-dibenzofuran-4-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N-dibenzofuran-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)naphthalen-1-yl]dibenzofuran-3-amine;N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 167669562

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-N-[4-(3,5-dimethylphenyl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-amine;1-N,1-N,3-N-triphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine?
The IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-N-[4-(3,5-dimethylphenyl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-amine;1-N,1-N,3-N-triphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine (CID 159945246) is N-[4-(4-tert-butylphenyl)phenyl]-N-[4-(3,5-dimethylphenyl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-amine;1-N,1-N,3-N-triphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)phenyl]-N-[4-(3,5-dimethylphenyl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-amine;1-N,1-N,3-N-triphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine?
The canonical SMILES for N-[4-(4-tert-butylphenyl)phenyl]-N-[4-(3,5-dimethylphenyl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-amine;1-N,1-N,3-N-triphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine is Cc1cc(C)cc(-c2ccc(N(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)c3ccc4ccc5ccc6nc(-c7ccccc7)oc6c5c4c3)cc2)c1.c1ccc(-c2nc3ccc4ccc5c(N(c6ccc7c(c6)oc6ccccc67)c6ccc7c(c6)oc6ccccc67)cccc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccccc6)c6cccc(N(c7ccccc7)c7ccccc7)c6)cc5c4c3o2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)phenyl]-N-[4-(3,5-dimethylphenyl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-amine;1-N,1-N,3-N-triphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine?
The InChIKey is OBKABPLYMLGSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42N2O.C45H31N3O.C45H26N2O3/c1-33-29-34(2)31-41(30-33)37-17-25-44(26-18-37)53(43-23-15-36(16-24-43)35-13-21-42(22-14-35)51(3,4)5)45-27-19-38-11-12-39-20-28-47-49(48(39)46(38)32-45)54-50(52-47)40-9-7-6-8-10-40;1-5-14-34(15-6-1)45-46-42-29-27-33-25-24-32-26-28-40(31-41(32)43(33)44(42)49-45)48(37-20-11-4-12-21-37)39-23-13-22-38(30-39)47(35-16-7-2-8-17-35)36-18-9-3-10-19-36;1-2-9-28(10-3-1)45-46-37-24-18-27-17-21-31-36(43(27)44(37)50-45)13-8-14-38(31)47(29-19-22-34-32-11-4-6-15-39(32)48-41(34)25-29)30-20-23-35-33-12-5-7-16-40(33)49-42(35)26-30/h6-32H,1-5H3;1-31H;1-26H.
What are the key properties of N-[4-(4-tert-butylphenyl)phenyl]-N-[4-(3,5-dimethylphenyl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-amine;1-N,1-N,3-N-triphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine?
N-[4-(4-tert-butylphenyl)phenyl]-N-[4-(3,5-dimethylphenyl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-amine;1-N,1-N,3-N-triphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine has a molecular weight of 1971.39 g/mol, XLogP of 40.33, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)phenyl]-N-[4-(3,5-dimethylphenyl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;N,N-di(dibenzofuran-3-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-amine;1-N,1-N,3-N-triphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine is sourced from PubChem (CID 159945246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).