N-dibenzofuran-3-yl-5,6,11-triphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]quinoxalin-3-amine

C62H42N4O — CID 153449157

IUPACN-dibenzofuran-3-yl-5,6,11-triphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]quinoxalin-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)N(c4ccccc4)c4c(c6ccccc6n4-c4ccccc4)N5c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C62H42N4O/c1-5-17-43(18-6-1)44-29-31-45(32-30-44)46-33-35-50(36-34-46)63(52-37-39-54-53-25-14-16-28-59(53)67-60(54)42-52)51-38-40-57-58(41-51)66(49-23-11-4-12-24-49)62-61(64(57)47-19-7-2-8-20-47)55-26-13-15-27-56(55)65(62)48-21-9-3-10-22-48/h1-42H
InChIKeyYIZRRDCMAFIWNO-UHFFFAOYSA-N
MW859.04 g/mol
LogP17.59
Rot. Bonds8

About N-dibenzofuran-3-yl-5,6,11-triphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]quinoxalin-3-amine

N-dibenzofuran-3-yl-5,6,11-triphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]quinoxalin-3-amine (PubChem CID 153449157) has the molecular formula C62H42N4O and a molecular weight of 859.04 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-5,6,11-triphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]quinoxalin-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-5,6,11-triphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]quinoxalin-3-amine
PubChem CID153449157
Molecular FormulaC62H42N4O
Molecular Weight859.04 g/mol
Exact Mass858.34
IUPAC NameN-dibenzofuran-3-yl-5,6,11-triphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]quinoxalin-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)N(c4ccccc4)c4c(c6ccccc6n4-c4ccccc4)N5c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C62H42N4O/c1-5-17-43(18-6-1)44-29-31-45(32-30-44)46-33-35-50(36-34-46)63(52-37-39-54-53-25-14-16-28-59(53)67-60(54)42-52)51-38-40-57-58(41-51)66(49-23-11-4-12-24-49)62-61(64(57)47-19-7-2-8-20-47)55-26-13-15-27-56(55)65(62)48-21-9-3-10-22-48/h1-42H
InChIKeyYIZRRDCMAFIWNO-UHFFFAOYSA-N
XLogP17.59
TPSA27.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.04
LogP ≤ 517.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152
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,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-[4-(6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 90194656
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
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
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine
CID 129085164
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzofuran-3-amine;N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 163939327
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
CID 147432395

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-5,6,11-triphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]quinoxalin-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-5,6,11-triphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]quinoxalin-3-amine (CID 153449157) is N-dibenzofuran-3-yl-5,6,11-triphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]quinoxalin-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-5,6,11-triphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]quinoxalin-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-5,6,11-triphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]quinoxalin-3-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)N(c4ccccc4)c4c(c6ccccc6n4-c4ccccc4)N5c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-5,6,11-triphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]quinoxalin-3-amine?
The InChIKey is YIZRRDCMAFIWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N4O/c1-5-17-43(18-6-1)44-29-31-45(32-30-44)46-33-35-50(36-34-46)63(52-37-39-54-53-25-14-16-28-59(53)67-60(54)42-52)51-38-40-57-58(41-51)66(49-23-11-4-12-24-49)62-61(64(57)47-19-7-2-8-20-47)55-26-13-15-27-56(55)65(62)48-21-9-3-10-22-48/h1-42H.
What are the key properties of N-dibenzofuran-3-yl-5,6,11-triphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]quinoxalin-3-amine?
N-dibenzofuran-3-yl-5,6,11-triphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]quinoxalin-3-amine has a molecular weight of 859.04 g/mol, XLogP of 17.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-5,6,11-triphenyl-N-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]quinoxalin-3-amine is sourced from PubChem (CID 153449157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).