N-dibenzofuran-2-yl-10-dibenzothiophen-3-yl-N-(4-phenylphenyl)phenoxazin-3-amine

C48H30N2O2S — CID 163553739

IUPACN-dibenzofuran-2-yl-10-dibenzothiophen-3-yl-N-(4-phenylphenyl)phenoxazin-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)Oc3ccccc3N4c3ccc4c(c3)sc3ccccc34)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C48H30N2O2S/c1-2-10-31(11-3-1)32-18-20-33(21-19-32)49(34-24-27-44-40(28-34)37-12-4-7-15-43(37)51-44)35-23-26-42-46(29-35)52-45-16-8-6-14-41(45)50(42)36-22-25-39-38-13-5-9-17-47(38)53-48(39)30-36/h1-30H
InChIKeyFLGTWTVNSKVSEV-UHFFFAOYSA-N
MW698.85 g/mol
LogP14.67
Rot. Bonds5

About N-dibenzofuran-2-yl-10-dibenzothiophen-3-yl-N-(4-phenylphenyl)phenoxazin-3-amine

N-dibenzofuran-2-yl-10-dibenzothiophen-3-yl-N-(4-phenylphenyl)phenoxazin-3-amine (PubChem CID 163553739) has the molecular formula C48H30N2O2S and a molecular weight of 698.85 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-10-dibenzothiophen-3-yl-N-(4-phenylphenyl)phenoxazin-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-10-dibenzothiophen-3-yl-N-(4-phenylphenyl)phenoxazin-3-amine
PubChem CID163553739
Molecular FormulaC48H30N2O2S
Molecular Weight698.85 g/mol
Exact Mass698.20
IUPAC NameN-dibenzofuran-2-yl-10-dibenzothiophen-3-yl-N-(4-phenylphenyl)phenoxazin-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)Oc3ccccc3N4c3ccc4c(c3)sc3ccccc34)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C48H30N2O2S/c1-2-10-31(11-3-1)32-18-20-33(21-19-32)49(34-24-27-44-40(28-34)37-12-4-7-15-43(37)51-44)35-23-26-42-46(29-35)52-45-16-8-6-14-41(45)50(42)36-22-25-39-38-13-5-9-17-47(38)53-48(39)30-36/h1-30H
InChIKeyFLGTWTVNSKVSEV-UHFFFAOYSA-N
XLogP14.67
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.85
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-dibenzothiophen-3-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenoxazin-3-amine
CID 164811783
N-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-yl-N-(3-phenylphenyl)phenoxazin-3-amine;N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-(3-phenylphenyl)phenoxazin-3-amine;10-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-N-(3-phenylphenyl)phenoxazin-3-amine
CID 165094290
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine
CID 164811782
10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine
CID 164811785
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 146573933
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
CID 139422551
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
CID 176781504
6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(4-phenylphenyl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 162475623

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-10-dibenzothiophen-3-yl-N-(4-phenylphenyl)phenoxazin-3-amine?
The IUPAC name of N-dibenzofuran-2-yl-10-dibenzothiophen-3-yl-N-(4-phenylphenyl)phenoxazin-3-amine (CID 163553739) is N-dibenzofuran-2-yl-10-dibenzothiophen-3-yl-N-(4-phenylphenyl)phenoxazin-3-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-10-dibenzothiophen-3-yl-N-(4-phenylphenyl)phenoxazin-3-amine?
The canonical SMILES for N-dibenzofuran-2-yl-10-dibenzothiophen-3-yl-N-(4-phenylphenyl)phenoxazin-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3ccccc3N4c3ccc4c(c3)sc3ccccc34)c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-10-dibenzothiophen-3-yl-N-(4-phenylphenyl)phenoxazin-3-amine?
The InChIKey is FLGTWTVNSKVSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O2S/c1-2-10-31(11-3-1)32-18-20-33(21-19-32)49(34-24-27-44-40(28-34)37-12-4-7-15-43(37)51-44)35-23-26-42-46(29-35)52-45-16-8-6-14-41(45)50(42)36-22-25-39-38-13-5-9-17-47(38)53-48(39)30-36/h1-30H.
What are the key properties of N-dibenzofuran-2-yl-10-dibenzothiophen-3-yl-N-(4-phenylphenyl)phenoxazin-3-amine?
N-dibenzofuran-2-yl-10-dibenzothiophen-3-yl-N-(4-phenylphenyl)phenoxazin-3-amine has a molecular weight of 698.85 g/mol, XLogP of 14.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-10-dibenzothiophen-3-yl-N-(4-phenylphenyl)phenoxazin-3-amine is sourced from PubChem (CID 163553739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).