N-(3-carbazol-9-yl-5-phenoxazin-10-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-amine

C58H37N3OS — CID 118605157

IUPACN-(3-carbazol-9-yl-5-phenoxazin-10-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-amine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2cccc3ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H37N3OS/c1-2-17-44-38(15-1)16-13-27-50(44)59(40-33-31-39(32-34-40)45-21-14-22-49-48-20-5-12-30-57(48)63-58(45)49)41-35-42(60-51-23-6-3-18-46(51)47-19-4-7-24-52(47)60)37-43(36-41)61-53-25-8-10-28-55(53)62-56-29-11-9-26-54(56)61/h1-37H
InChIKeyVUCXVUGJKNDQFD-UHFFFAOYSA-N
MW824.02 g/mol
LogP17.02
Rot. Bonds6

About N-(3-carbazol-9-yl-5-phenoxazin-10-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-amine

N-(3-carbazol-9-yl-5-phenoxazin-10-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-amine (PubChem CID 118605157) has the molecular formula C58H37N3OS and a molecular weight of 824.02 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-5-phenoxazin-10-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-5-phenoxazin-10-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-amine
PubChem CID118605157
Molecular FormulaC58H37N3OS
Molecular Weight824.02 g/mol
Exact Mass823.27
IUPAC NameN-(3-carbazol-9-yl-5-phenoxazin-10-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-amine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2cccc3ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H37N3OS/c1-2-17-44-38(15-1)16-13-27-50(44)59(40-33-31-39(32-34-40)45-21-14-22-49-48-20-5-12-30-57(48)63-58(45)49)41-35-42(60-51-23-6-3-18-46(51)47-19-4-7-24-52(47)60)37-43(36-41)61-53-25-8-10-28-55(53)62-56-29-11-9-26-54(56)61/h1-37H
InChIKeyVUCXVUGJKNDQFD-UHFFFAOYSA-N
XLogP17.02
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.02
LogP ≤ 517.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-yl-5-phenoxazin-10-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-(3-carbazol-9-yl-5-phenoxazin-10-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-amine (CID 118605157) is N-(3-carbazol-9-yl-5-phenoxazin-10-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(3-carbazol-9-yl-5-phenoxazin-10-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(3-carbazol-9-yl-5-phenoxazin-10-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-amine is c1ccc2c(c1)Oc1ccccc1N2c1cc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2cccc3ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-(3-carbazol-9-yl-5-phenoxazin-10-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-amine?
The InChIKey is VUCXVUGJKNDQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3OS/c1-2-17-44-38(15-1)16-13-27-50(44)59(40-33-31-39(32-34-40)45-21-14-22-49-48-20-5-12-30-57(48)63-58(45)49)41-35-42(60-51-23-6-3-18-46(51)47-19-4-7-24-52(47)60)37-43(36-41)61-53-25-8-10-28-55(53)62-56-29-11-9-26-54(56)61/h1-37H.
What are the key properties of N-(3-carbazol-9-yl-5-phenoxazin-10-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-amine?
N-(3-carbazol-9-yl-5-phenoxazin-10-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-amine has a molecular weight of 824.02 g/mol, XLogP of 17.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-yl-5-phenoxazin-10-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 118605157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).