N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-2-amine

C152H101N9O5 — CID 158631426

IUPACN,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc4c(c3)Oc3c(n(-c5ccccc5)c5ccccc35)N4c3ccccc3)c2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3c(n(-c5ccccc5)c5ccccc35)N4c3ccccc3)c3cc4ccccc4c4ccccc34)cc2)cc1.c1ccc(N2c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3Oc3c2n(-c2ccccc2)c2ccccc32)cc1
InChIInChI=1S/C52H35N3O.C50H31N3O3.C50H35N3O/c1-4-16-36(17-5-1)37-28-30-41(31-29-37)53(49-34-38-18-10-11-23-43(38)44-24-12-13-25-45(44)49)42-32-33-48-50(35-42)56-51-46-26-14-15-27-47(46)54(39-19-6-2-7-20-39)52(51)55(48)40-21-8-3-9-22-40;1-3-13-32(14-4-1)52-42-20-10-7-19-41(42)49-50(52)53(33-15-5-2-6-16-33)43-28-25-36(31-48(43)56-49)51(34-23-26-39-37-17-8-11-21-44(37)54-46(39)29-34)35-24-27-40-38-18-9-12-22-45(38)55-47(40)30-35;1-6-18-36(19-7-1)38-32-39(37-20-8-2-9-21-37)34-44(33-38)51(40-22-10-3-11-23-40)43-30-31-47-48(35-43)54-49-45-28-16-17-29-46(45)52(41-24-12-4-13-25-41)50(49)53(47)42-26-14-5-15-27-42/h1-35H;1-31H;1-35H
InChIKeyHZFZXSGOLIPRAA-UHFFFAOYSA-N
MW2133.54 g/mol
LogP43.13
Rot. Bonds18

About N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-2-amine

N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-2-amine (PubChem CID 158631426) has the molecular formula C152H101N9O5 and a molecular weight of 2133.54 g/mol. Its IUPAC name is N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-2-amine.

Molecular Properties

Compound NameN,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-2-amine
PubChem CID158631426
Molecular FormulaC152H101N9O5
Molecular Weight2133.54 g/mol
Exact Mass2131.79
IUPAC NameN,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc4c(c3)Oc3c(n(-c5ccccc5)c5ccccc35)N4c3ccccc3)c2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3c(n(-c5ccccc5)c5ccccc35)N4c3ccccc3)c3cc4ccccc4c4ccccc34)cc2)cc1.c1ccc(N2c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3Oc3c2n(-c2ccccc2)c2ccccc32)cc1
InChIInChI=1S/C52H35N3O.C50H31N3O3.C50H35N3O/c1-4-16-36(17-5-1)37-28-30-41(31-29-37)53(49-34-38-18-10-11-23-43(38)44-24-12-13-25-45(44)49)42-32-33-48-50(35-42)56-51-46-26-14-15-27-47(46)54(39-19-6-2-7-20-39)52(51)55(48)40-21-8-3-9-22-40;1-3-13-32(14-4-1)52-42-20-10-7-19-41(42)49-50(52)53(33-15-5-2-6-16-33)43-28-25-36(31-48(43)56-49)51(34-23-26-39-37-17-8-11-21-44(37)54-46(39)29-34)35-24-27-40-38-18-9-12-22-45(38)55-47(40)30-35;1-6-18-36(19-7-1)38-32-39(37-20-8-2-9-21-37)34-44(33-38)51(40-22-10-3-11-23-40)43-30-31-47-48(35-43)54-49-45-28-16-17-29-46(45)52(41-24-12-4-13-25-41)50(49)53(47)42-26-14-5-15-27-42/h1-35H;1-31H;1-35H
InChIKeyHZFZXSGOLIPRAA-UHFFFAOYSA-N
XLogP43.13
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002133.54
LogP ≤ 543.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-2-amine with MolForge

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Related Compounds

N-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzoxazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-10-amine;N-(4-naphthalen-1-ylphenyl)-5,6-diphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b][1,4]benzoxazin-10-amine
CID 161033389
N-phenanthren-9-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 89295825
N-dibenzofuran-3-yl-5,6,11-triphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]quinoxalin-3-amine
CID 153449157
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzothiazin-2-amine
CID 159682101
N-[3-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-2-amine
CID 157461164
N-[3-(5,6-diphenyl-11H-indolo[2,3-b][1,4]benzazasilin-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 146815382
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
N-[4-[4-[dibenzofuran-2-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-2-amine;1-N,3-N-di(dibenzofuran-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-di(dibenzofuran-3-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-di(dibenzofuran-4-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 157328042
bis(N,N-bis[4-[3-(9H-acridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine);tris(N,N-bis[4-[3-(9H-acridin-10-yl)phenyl]phenyl]phenanthren-9-amine);N,N-bis[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]phenanthren-9-amine
CID 157390854
N-[4-[4-(N-dibenzofuran-2-ylanilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;2-N-dibenzofuran-2-yl-9,9-dimethyl-2-N,7-N-diphenyl-7-N-(9-phenylcarbazol-3-yl)fluorene-2,7-diamine;N-[4-[4-[4-[dibenzofuran-3-yl(phenanthren-9-yl)amino]phenyl]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-3-amine;N-[4-[4-[4-[dibenzofuran-4-yl(phenanthren-9-yl)amino]phenyl]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-4-amine
CID 158078970
N-dibenzofuran-3-yl-N-[3-[3-(5,6-diphenylindolo[3,2-b][1,4]benzothiazin-9-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 146360302

Frequently Asked Questions

What is the IUPAC name of N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-2-amine?
The IUPAC name of N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-2-amine (CID 158631426) is N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-2-amine.
What is the SMILES notation for N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-2-amine?
The canonical SMILES for N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-2-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc4c(c3)Oc3c(n(-c5ccccc5)c5ccccc35)N4c3ccccc3)c2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3c(n(-c5ccccc5)c5ccccc35)N4c3ccccc3)c3cc4ccccc4c4ccccc34)cc2)cc1.c1ccc(N2c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5c(c4)oc4ccccc45)cc3Oc3c2n(-c2ccccc2)c2ccccc32)cc1.
What is the InChIKey of N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-2-amine?
The InChIKey is HZFZXSGOLIPRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3O.C50H31N3O3.C50H35N3O/c1-4-16-36(17-5-1)37-28-30-41(31-29-37)53(49-34-38-18-10-11-23-43(38)44-24-12-13-25-45(44)49)42-32-33-48-50(35-42)56-51-46-26-14-15-27-47(46)54(39-19-6-2-7-20-39)52(51)55(48)40-21-8-3-9-22-40;1-3-13-32(14-4-1)52-42-20-10-7-19-41(42)49-50(52)53(33-15-5-2-6-16-33)43-28-25-36(31-48(43)56-49)51(34-23-26-39-37-17-8-11-21-44(37)54-46(39)29-34)35-24-27-40-38-18-9-12-22-45(38)55-47(40)30-35;1-6-18-36(19-7-1)38-32-39(37-20-8-2-9-21-37)34-44(33-38)51(40-22-10-3-11-23-40)43-30-31-47-48(35-43)54-49-45-28-16-17-29-46(45)52(41-24-12-4-13-25-41)50(49)53(47)42-26-14-5-15-27-42/h1-35H;1-31H;1-35H.
What are the key properties of N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-2-amine?
N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-2-amine has a molecular weight of 2133.54 g/mol, XLogP of 43.13, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzoxazin-2-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-2-amine is sourced from PubChem (CID 158631426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).