N-[4-(6-phenylindolo[3,2-b][1,4]benzoxazin-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine

C48H33N3O — CID 146360107

IUPACN-[4-(6-phenylindolo[3,2-b][1,4]benzoxazin-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(N3c4ccccc4Oc4c3n(-c3ccccc3)c3ccccc43)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C48H33N3O/c1-3-16-34(17-4-1)39-23-9-11-25-42(39)49(43-28-15-19-35-18-7-8-22-40(35)43)37-30-32-38(33-31-37)51-45-27-13-14-29-46(45)52-47-41-24-10-12-26-44(41)50(48(47)51)36-20-5-2-6-21-36/h1-33H
InChIKeyJVPDTSXZQYPIFC-UHFFFAOYSA-N
MW667.81 g/mol
LogP13.50
Rot. Bonds6

About N-[4-(6-phenylindolo[3,2-b][1,4]benzoxazin-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine

N-[4-(6-phenylindolo[3,2-b][1,4]benzoxazin-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine (PubChem CID 146360107) has the molecular formula C48H33N3O and a molecular weight of 667.81 g/mol. Its IUPAC name is N-[4-(6-phenylindolo[3,2-b][1,4]benzoxazin-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(6-phenylindolo[3,2-b][1,4]benzoxazin-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
PubChem CID146360107
Molecular FormulaC48H33N3O
Molecular Weight667.81 g/mol
Exact Mass667.26
IUPAC NameN-[4-(6-phenylindolo[3,2-b][1,4]benzoxazin-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(N3c4ccccc4Oc4c3n(-c3ccccc3)c3ccccc43)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C48H33N3O/c1-3-16-34(17-4-1)39-23-9-11-25-42(39)49(43-28-15-19-35-18-7-8-22-40(35)43)37-30-32-38(33-31-37)51-45-27-13-14-29-46(45)52-47-41-24-10-12-26-44(41)50(48(47)51)36-20-5-2-6-21-36/h1-33H
InChIKeyJVPDTSXZQYPIFC-UHFFFAOYSA-N
XLogP13.50
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.81
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzoxazin-3-amine;5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[3,2-b][1,4]benzoxazin-3-amine
CID 160882826
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,N-diphenyl-4-(6-phenylindolo[2,3-b]indol-5-yl)aniline;N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine;4-phenyl-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 158842849
N-phenanthren-2-yl-N-[4-(6-phenylindolo[3,2-b][1,4]benzoxazin-5-yl)phenyl]dibenzothiophen-2-amine
CID 146360117
N,N-bis(4-naphthalen-1-ylphenyl)-5,6,11-triphenylindolo[3,2-b]quinoxalin-10-amine
CID 153449161
N,N-bis(4-naphthalen-1-ylphenyl)-5,6,11,11-tetraphenylindolo[2,3-b][1,4]benzazasilin-1-amine
CID 153449220
N-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine
CID 164790578
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 167182149
N-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-2-phenylaniline
CID 155649255
N-(4-benzo[c]carbazol-7-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167038136
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine
CID 167176862

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-phenylindolo[3,2-b][1,4]benzoxazin-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-[4-(6-phenylindolo[3,2-b][1,4]benzoxazin-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine (CID 146360107) is N-[4-(6-phenylindolo[3,2-b][1,4]benzoxazin-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-(6-phenylindolo[3,2-b][1,4]benzoxazin-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-(6-phenylindolo[3,2-b][1,4]benzoxazin-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccccc2N(c2ccc(N3c4ccccc4Oc4c3n(-c3ccccc3)c3ccccc43)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-(6-phenylindolo[3,2-b][1,4]benzoxazin-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine?
The InChIKey is JVPDTSXZQYPIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O/c1-3-16-34(17-4-1)39-23-9-11-25-42(39)49(43-28-15-19-35-18-7-8-22-40(35)43)37-30-32-38(33-31-37)51-45-27-13-14-29-46(45)52-47-41-24-10-12-26-44(41)50(48(47)51)36-20-5-2-6-21-36/h1-33H.
What are the key properties of N-[4-(6-phenylindolo[3,2-b][1,4]benzoxazin-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine?
N-[4-(6-phenylindolo[3,2-b][1,4]benzoxazin-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine has a molecular weight of 667.81 g/mol, XLogP of 13.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-phenylindolo[3,2-b][1,4]benzoxazin-5-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 146360107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).